REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1oa1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFCFQCQETA KNTGCTVKGM CGKPEETANL QDLLIFVLRG IAIYGEKLKE DATA SEQUENCE LGQPDRSNDD FVLQGLFATI TNANWDDARF EAMISEGLAR RDKLRNAFLA DATA SEQUENCE VYKAKNGKDF SEPLPEAATW TGDSTAFAEK AKSVGILATE NEDVRSLREL DATA SEQUENCE LIIGLKGVAA YAEHAAVLGF RKTEIDEFML EALASTTKDL SVDEMVALVM DATA SEQUENCE KAGGMAVTTM ALLDEANTTT YGNPEITQVN IGVGKNPGIL ISGHDLKDMA DATA SEQUENCE ELLKQTEGTG VDVYTHGEML PANYYPAFKK YPHFVGNYGG SWWQQNPEFE DATA SEQUENCE SFNGPILLTT NCLVPLKKEN TYLDRLYTTG VVGYEGAKHI ADRPAGGAKD DATA SEQUENCE FSALIAQAKK CPPPVEIETG SIVGGFAHHQ VLALADKVVE AVKSGAIKRF DATA SEQUENCE VVMAGCDGRQ KSRSYYTEVA ENLPKDTVIL TAGCAKYRYN KLNLGDIGGI DATA SEQUENCE PRVLDAGQCN DSYSLAVIAL KLKEVFGLDD INDLPVSYDI AWYEQKAVAV DATA SEQUENCE LLALLFLGVK GIRLGPTLPA FLSPNVAKVL VENFNIKPIG TVQDDIAAMM DATA SEQUENCE AGK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.348 176.300 0.080 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.029 0.000 1.302 2 F N 1.504 121.385 119.950 -0.116 0.000 2.689 2 F HA 0.750 5.276 4.527 -0.001 0.000 0.332 2 F C -1.866 173.831 175.800 -0.171 0.000 1.209 2 F CA -0.593 57.319 58.000 -0.147 0.000 1.028 2 F CB 1.704 40.584 39.000 -0.201 0.000 1.291 2 F HN 1.051 nan 8.300 nan 0.000 0.500 3 C N 7.954 126.838 119.300 -0.693 0.000 2.782 3 C HA 0.745 5.205 4.460 -0.001 0.000 0.328 3 C C -0.688 174.078 174.990 -0.374 0.000 1.145 3 C CA -0.503 58.280 59.018 -0.392 0.000 1.358 3 C CB 0.858 28.485 27.740 -0.189 0.000 1.841 3 C HN 0.781 nan 8.230 nan 0.000 0.477 4 F N 4.243 124.060 119.950 -0.223 0.000 2.856 4 F HA 0.292 4.819 4.527 -0.001 0.000 0.333 4 F C 1.044 176.954 175.800 0.184 0.000 1.200 4 F CA -0.603 57.367 58.000 -0.049 0.000 1.128 4 F CB -1.399 37.622 39.000 0.035 0.000 1.172 4 F HN 0.731 nan 8.300 nan 0.000 0.511 5 Q N 0.993 120.991 119.800 0.330 0.000 2.432 5 Q HA 0.195 4.534 4.340 -0.001 0.000 0.205 5 Q C 0.849 176.992 176.000 0.238 0.000 0.945 5 Q CA 0.767 56.672 55.803 0.171 0.000 0.924 5 Q CB -0.061 28.678 28.738 0.001 0.000 1.016 5 Q HN 0.487 nan 8.270 nan 0.000 0.503 6 C N -1.819 117.557 119.300 0.127 0.000 2.630 6 C HA 0.373 4.833 4.460 -0.001 0.000 0.346 6 C C 1.509 176.380 174.990 -0.198 0.000 1.245 6 C CA -0.761 58.182 59.018 -0.125 0.000 1.804 6 C CB 2.130 29.538 27.740 -0.553 0.000 2.279 6 C HN 0.397 nan 8.230 nan 0.000 0.498 7 Q N 0.498 119.830 119.800 -0.781 0.000 2.226 7 Q HA -0.123 4.217 4.340 -0.001 0.000 0.204 7 Q C 1.500 177.372 176.000 -0.214 0.000 0.975 7 Q CA 1.974 57.277 55.803 -0.833 0.000 0.866 7 Q CB -0.070 27.863 28.738 -1.341 0.000 0.915 7 Q HN 0.925 nan 8.270 nan 0.000 0.440 8 E N 0.393 120.560 120.200 -0.055 0.000 2.476 8 E HA 0.018 4.368 4.350 -0.001 0.000 0.191 8 E C 0.098 176.733 176.600 0.057 0.000 1.064 8 E CA -0.206 56.237 56.400 0.073 0.000 0.866 8 E CB 0.182 30.032 29.700 0.250 0.000 0.952 8 E HN 0.126 nan 8.360 nan 0.000 0.492 9 T N 1.017 115.594 114.554 0.038 0.000 2.946 9 T HA 0.087 4.437 4.350 -0.001 0.000 0.312 9 T C 0.206 174.933 174.700 0.046 0.000 1.066 9 T CA -0.267 61.862 62.100 0.048 0.000 1.138 9 T CB 0.422 69.343 68.868 0.087 0.000 1.014 9 T HN 0.187 nan 8.240 nan 0.000 0.544 10 A N 4.808 127.645 122.820 0.028 0.000 2.546 10 A HA 0.263 4.583 4.320 -0.001 0.000 0.243 10 A C 1.038 178.650 177.584 0.046 0.000 1.063 10 A CA 0.211 52.267 52.037 0.032 0.000 0.757 10 A CB -0.366 18.646 19.000 0.019 0.000 0.991 10 A HN 1.069 nan 8.150 nan 0.000 0.503 11 K N 1.077 121.505 120.400 0.045 0.000 3.130 11 K HA -0.257 4.063 4.320 -0.001 0.000 0.282 11 K C 0.381 177.018 176.600 0.061 0.000 1.145 11 K CA 0.808 57.126 56.287 0.050 0.000 0.831 11 K CB -1.525 31.009 32.500 0.056 0.000 1.226 11 K HN 1.036 nan 8.250 nan 0.000 0.478 12 N N -0.329 118.408 118.700 0.062 0.000 2.708 12 N HA -0.213 4.527 4.740 -0.001 0.000 0.251 12 N C -0.105 175.468 175.510 0.105 0.000 1.017 12 N CA 1.799 54.894 53.050 0.075 0.000 0.742 12 N CB -0.721 37.802 38.487 0.060 0.000 0.943 12 N HN 0.518 nan 8.380 nan 0.000 0.539 13 T N -2.501 112.134 114.554 0.135 0.000 3.250 13 T HA 0.523 4.872 4.350 -0.001 0.000 0.265 13 T C 0.448 175.316 174.700 0.281 0.000 0.973 13 T CA 0.368 62.595 62.100 0.211 0.000 1.040 13 T CB 1.135 70.106 68.868 0.173 0.000 1.167 13 T HN 0.578 nan 8.240 nan 0.000 0.471 14 G N 0.105 108.961 108.800 0.094 0.000 2.378 14 G HA2 0.341 4.301 3.960 -0.001 0.000 0.302 14 G HA3 0.341 4.301 3.960 -0.001 0.000 0.302 14 G C -1.147 173.608 174.900 -0.241 0.000 1.669 14 G CA -0.929 44.026 45.100 -0.242 0.000 0.920 14 G HN 0.337 nan 8.290 nan 0.000 0.697 15 C N 2.141 121.244 119.300 -0.328 0.000 2.394 15 C HA 0.588 5.048 4.460 -0.001 0.000 0.362 15 C C 1.898 176.766 174.990 -0.203 0.000 1.268 15 C CA 0.390 59.299 59.018 -0.182 0.000 1.828 15 C CB -0.085 27.582 27.740 -0.121 0.000 2.442 15 C HN 0.991 nan 8.230 nan 0.000 0.549 16 T N -0.506 114.013 114.554 -0.059 0.000 2.971 16 T HA 0.101 4.451 4.350 -0.001 0.000 0.252 16 T C 0.929 175.641 174.700 0.019 0.000 1.022 16 T CA 0.410 62.522 62.100 0.021 0.000 0.980 16 T CB 0.060 68.983 68.868 0.091 0.000 1.044 16 T HN 0.416 nan 8.240 nan 0.000 0.501 17 V N -0.139 119.780 119.914 0.009 0.000 2.950 17 V HA 0.487 4.606 4.120 -0.001 0.000 0.231 17 V C 0.272 176.374 176.094 0.013 0.000 1.205 17 V CA 0.135 62.443 62.300 0.014 0.000 1.239 17 V CB 0.521 32.356 31.823 0.020 0.000 1.050 17 V HN 0.394 nan 8.190 nan 0.000 0.498 18 K N 0.186 120.597 120.400 0.019 0.000 2.498 18 K HA 0.557 4.877 4.320 -0.001 0.000 0.254 18 K C -0.215 176.409 176.600 0.040 0.000 0.933 18 K CA -0.305 56.003 56.287 0.035 0.000 0.806 18 K CB 2.037 34.566 32.500 0.048 0.000 1.301 18 K HN 0.331 nan 8.250 nan 0.000 0.432 19 G N 2.936 111.771 108.800 0.058 0.000 2.491 19 G HA2 0.050 4.010 3.960 -0.001 0.000 0.238 19 G HA3 0.050 4.010 3.960 -0.001 0.000 0.238 19 G C 0.965 175.928 174.900 0.106 0.000 1.277 19 G CA -0.477 44.663 45.100 0.066 0.000 0.851 19 G HN 0.614 nan 8.290 nan 0.000 0.573 20 M N 1.878 121.536 119.600 0.097 0.000 2.279 20 M HA -0.110 4.369 4.480 -0.001 0.000 0.264 20 M C 2.599 179.013 176.300 0.192 0.000 1.062 20 M CA 0.933 56.306 55.300 0.122 0.000 1.099 20 M CB -1.589 31.075 32.600 0.107 0.000 1.394 20 M HN 0.799 nan 8.290 nan 0.000 0.426 21 C N -1.475 117.972 119.300 0.246 0.000 2.500 21 C HA 0.465 4.925 4.460 -0.001 0.000 0.273 21 C C 1.837 177.085 174.990 0.429 0.000 1.428 21 C CA 0.290 59.534 59.018 0.378 0.000 1.766 21 C CB -1.181 26.802 27.740 0.406 0.000 1.817 21 C HN 0.721 nan 8.230 nan 0.000 0.543 22 G N 0.324 109.320 108.800 0.328 0.000 2.184 22 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.206 22 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.206 22 G C 0.057 175.208 174.900 0.418 0.000 0.995 22 G CA 0.149 45.423 45.100 0.291 0.000 0.651 22 G HN 0.755 nan 8.290 nan 0.000 0.511 23 K N 2.085 122.755 120.400 0.451 0.000 2.402 23 K HA 0.415 4.735 4.320 -0.001 0.000 0.285 23 K C -2.034 174.661 176.600 0.159 0.000 1.054 23 K CA -1.332 55.146 56.287 0.318 0.000 1.001 23 K CB 0.742 33.260 32.500 0.030 0.000 0.946 23 K HN 0.129 nan 8.250 nan 0.000 0.473 24 P HA -0.001 nan 4.420 nan 0.000 0.274 24 P C 0.121 177.436 177.300 0.024 0.000 1.237 24 P CA -0.245 62.902 63.100 0.077 0.000 0.793 24 P CB 0.867 32.614 31.700 0.078 0.000 0.977 25 E N 0.792 120.999 120.200 0.010 0.000 2.086 25 E HA -0.307 4.043 4.350 -0.001 0.000 0.200 25 E C 1.173 177.756 176.600 -0.029 0.000 1.012 25 E CA 1.772 58.163 56.400 -0.014 0.000 0.812 25 E CB -0.070 29.626 29.700 -0.007 0.000 0.743 25 E HN 0.390 nan 8.360 nan 0.000 0.453 26 E N -0.378 119.816 120.200 -0.011 0.000 2.077 26 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 26 E C 2.100 178.674 176.600 -0.043 0.000 0.989 26 E CA 1.810 58.202 56.400 -0.012 0.000 0.800 26 E CB -0.293 29.416 29.700 0.015 0.000 0.746 26 E HN 0.245 nan 8.360 nan 0.000 0.452 27 T N 0.407 114.933 114.554 -0.046 0.000 2.737 27 T HA -0.116 4.234 4.350 -0.001 0.000 0.265 27 T C 1.969 176.513 174.700 -0.259 0.000 1.038 27 T CA 1.266 63.291 62.100 -0.124 0.000 1.144 27 T CB -0.421 68.421 68.868 -0.044 0.000 0.866 27 T HN 0.280 nan 8.240 nan 0.000 0.434 28 A N 2.579 125.290 122.820 -0.182 0.000 1.883 28 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 28 A C 2.242 179.702 177.584 -0.207 0.000 1.186 28 A CA 1.798 53.715 52.037 -0.201 0.000 0.624 28 A CB -0.730 18.193 19.000 -0.129 0.000 0.822 28 A HN 0.393 nan 8.150 nan 0.000 0.444 29 N N 0.053 118.659 118.700 -0.157 0.000 2.142 29 N HA -0.063 4.676 4.740 -0.001 0.000 0.186 29 N C 1.609 177.010 175.510 -0.182 0.000 1.023 29 N CA 1.243 54.204 53.050 -0.149 0.000 0.852 29 N CB -0.535 37.889 38.487 -0.105 0.000 0.998 29 N HN 0.509 nan 8.380 nan 0.000 0.424 30 L N 1.056 122.163 121.223 -0.193 0.000 2.083 30 L HA -0.172 4.168 4.340 -0.001 0.000 0.209 30 L C 2.297 178.967 176.870 -0.334 0.000 1.083 30 L CA 1.118 55.839 54.840 -0.199 0.000 0.752 30 L CB -0.354 41.636 42.059 -0.116 0.000 0.899 30 L HN 0.229 nan 8.230 nan 0.000 0.433 31 Q N -0.302 119.181 119.800 -0.529 0.000 2.084 31 Q HA -0.213 4.127 4.340 -0.001 0.000 0.202 31 Q C 1.782 177.636 176.000 -0.243 0.000 0.978 31 Q CA 1.478 56.974 55.803 -0.512 0.000 0.844 31 Q CB -0.114 28.287 28.738 -0.562 0.000 0.898 31 Q HN 0.492 nan 8.270 nan 0.000 0.426 32 D N 0.668 120.943 120.400 -0.208 0.000 2.117 32 D HA -0.149 4.491 4.640 -0.001 0.000 0.197 32 D C 1.835 178.067 176.300 -0.114 0.000 0.987 32 D CA 0.783 54.698 54.000 -0.142 0.000 0.829 32 D CB -0.089 40.620 40.800 -0.152 0.000 0.961 32 D HN 0.111 nan 8.370 nan 0.000 0.460 33 L N 0.614 121.742 121.223 -0.159 0.000 2.093 33 L HA -0.067 4.272 4.340 -0.001 0.000 0.208 33 L C 2.068 178.931 176.870 -0.012 0.000 1.085 33 L CA 1.032 55.783 54.840 -0.147 0.000 0.755 33 L CB -0.576 41.334 42.059 -0.249 0.000 0.904 33 L HN -0.020 nan 8.230 nan 0.000 0.435 34 L N -0.407 120.797 121.223 -0.032 0.000 2.017 34 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 34 L C 2.331 179.233 176.870 0.053 0.000 1.073 34 L CA 1.896 56.758 54.840 0.038 0.000 0.745 34 L CB -0.557 41.551 42.059 0.082 0.000 0.894 34 L HN 0.286 nan 8.230 nan 0.000 0.432 35 I N -1.333 119.251 120.570 0.023 0.000 2.286 35 I HA -0.312 3.858 4.170 -0.001 0.000 0.248 35 I C 2.359 178.516 176.117 0.067 0.000 1.115 35 I CA 1.447 62.760 61.300 0.021 0.000 1.392 35 I CB -0.467 37.526 38.000 -0.012 0.000 1.065 35 I HN 0.312 nan 8.210 nan 0.000 0.418 36 F N 1.484 121.389 119.950 -0.076 0.000 2.095 36 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 36 F C 2.351 178.137 175.800 -0.024 0.000 1.104 36 F CA 1.784 59.741 58.000 -0.071 0.000 1.232 36 F CB -0.412 38.516 39.000 -0.120 0.000 0.987 36 F HN -0.231 nan 8.300 nan 0.000 0.475 37 V N 0.869 120.837 119.914 0.090 0.000 2.427 37 V HA -0.296 3.823 4.120 -0.001 0.000 0.248 37 V C 2.474 178.572 176.094 0.007 0.000 1.051 37 V CA 1.858 64.171 62.300 0.022 0.000 1.048 37 V CB -0.726 31.179 31.823 0.137 0.000 0.666 37 V HN 0.399 nan 8.190 nan 0.000 0.456 38 L N -0.587 120.661 121.223 0.041 0.000 2.083 38 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 38 L C 2.766 179.611 176.870 -0.042 0.000 1.083 38 L CA 1.540 56.403 54.840 0.038 0.000 0.752 38 L CB -0.632 41.441 42.059 0.023 0.000 0.899 38 L HN 0.251 nan 8.230 nan 0.000 0.433 39 R N -0.023 120.418 120.500 -0.097 0.000 2.096 39 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 39 R C 2.401 178.579 176.300 -0.204 0.000 1.127 39 R CA 1.272 57.280 56.100 -0.153 0.000 0.968 39 R CB -0.692 29.507 30.300 -0.168 0.000 0.861 39 R HN 0.445 nan 8.270 nan 0.000 0.440 40 G N 1.333 109.992 108.800 -0.235 0.000 2.421 40 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.216 40 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.216 40 G C 1.459 176.302 174.900 -0.094 0.000 1.171 40 G CA 0.590 45.561 45.100 -0.215 0.000 0.775 40 G HN 0.157 nan 8.290 nan 0.000 0.543 41 I N 1.475 122.037 120.570 -0.013 0.000 2.194 41 I HA -0.253 3.917 4.170 -0.001 0.000 0.246 41 I C 3.292 179.402 176.117 -0.010 0.000 1.093 41 I CA 1.124 62.448 61.300 0.041 0.000 1.355 41 I CB -0.216 37.821 38.000 0.062 0.000 1.046 41 I HN 0.261 nan 8.210 nan 0.000 0.413 42 A N 0.854 123.631 122.820 -0.071 0.000 1.902 42 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 42 A C 2.287 179.770 177.584 -0.168 0.000 1.181 42 A CA 1.383 53.357 52.037 -0.104 0.000 0.623 42 A CB -0.763 18.165 19.000 -0.121 0.000 0.818 42 A HN 0.370 nan 8.150 nan 0.000 0.443 43 I N -1.762 118.648 120.570 -0.268 0.000 2.163 43 I HA -0.315 3.855 4.170 -0.001 0.000 0.243 43 I C 2.378 178.207 176.117 -0.480 0.000 1.085 43 I CA 1.647 62.699 61.300 -0.414 0.000 1.347 43 I CB -0.412 37.244 38.000 -0.574 0.000 1.044 43 I HN 0.417 nan 8.210 nan 0.000 0.408 44 Y N 0.453 120.578 120.300 -0.292 0.000 2.263 44 Y HA -0.046 4.503 4.550 -0.001 0.000 0.292 44 Y C 2.586 178.348 175.900 -0.230 0.000 1.130 44 Y CA 1.094 58.973 58.100 -0.369 0.000 1.179 44 Y CB -1.275 37.028 38.460 -0.262 0.000 0.998 44 Y HN 0.092 nan 8.280 nan 0.000 0.532 45 G N -0.338 108.463 108.800 0.002 0.000 2.422 45 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.218 45 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.218 45 G C 1.579 176.465 174.900 -0.023 0.000 1.146 45 G CA 1.009 46.110 45.100 0.001 0.000 0.769 45 G HN 0.458 nan 8.290 nan 0.000 0.547 46 E N 0.416 120.575 120.200 -0.069 0.000 2.047 46 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 46 E C 2.377 178.947 176.600 -0.050 0.000 0.987 46 E CA 1.000 57.363 56.400 -0.062 0.000 0.799 46 E CB -0.110 29.534 29.700 -0.094 0.000 0.752 46 E HN 0.368 nan 8.360 nan 0.000 0.449 47 K N 0.214 120.544 120.400 -0.117 0.000 2.063 47 K HA -0.137 4.182 4.320 -0.001 0.000 0.208 47 K C 2.287 178.939 176.600 0.088 0.000 1.048 47 K CA 1.188 57.428 56.287 -0.079 0.000 0.928 47 K CB -0.117 32.129 32.500 -0.423 0.000 0.713 47 K HN 0.209 nan 8.250 nan 0.000 0.442 48 L N 1.125 122.403 121.223 0.091 0.000 2.093 48 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 48 L C 2.630 179.553 176.870 0.088 0.000 1.085 48 L CA 1.213 56.137 54.840 0.139 0.000 0.755 48 L CB -0.319 41.810 42.059 0.117 0.000 0.904 48 L HN 0.173 nan 8.230 nan 0.000 0.435 49 K N 0.572 121.005 120.400 0.055 0.000 2.057 49 K HA -0.217 4.103 4.320 -0.001 0.000 0.207 49 K C 1.849 178.480 176.600 0.051 0.000 1.049 49 K CA 1.658 57.973 56.287 0.045 0.000 0.931 49 K CB 0.006 32.525 32.500 0.032 0.000 0.714 49 K HN 0.363 nan 8.250 nan 0.000 0.440 50 E N 0.467 120.702 120.200 0.057 0.000 2.204 50 E HA -0.150 4.199 4.350 -0.001 0.000 0.195 50 E C 1.824 178.469 176.600 0.075 0.000 0.990 50 E CA 0.859 57.297 56.400 0.063 0.000 0.821 50 E CB 0.009 29.750 29.700 0.067 0.000 0.750 50 E HN 0.308 nan 8.360 nan 0.000 0.477 51 L N -0.502 120.778 121.223 0.096 0.000 2.599 51 L HA 0.103 4.443 4.340 -0.001 0.000 0.230 51 L C 1.305 178.208 176.870 0.054 0.000 1.141 51 L CA 0.365 55.257 54.840 0.087 0.000 0.877 51 L CB 0.086 42.222 42.059 0.128 0.000 1.009 51 L HN 0.298 nan 8.230 nan 0.000 0.447 52 G N -0.281 108.549 108.800 0.050 0.000 2.136 52 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.242 52 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.242 52 G C 0.278 175.198 174.900 0.033 0.000 0.989 52 G CA -0.207 44.914 45.100 0.036 0.000 0.682 52 G HN 0.358 nan 8.290 nan 0.000 0.522 53 Q N 0.177 120.003 119.800 0.044 0.000 2.831 53 Q HA 0.238 4.578 4.340 -0.001 0.000 0.366 53 Q C -2.600 173.426 176.000 0.044 0.000 0.899 53 Q CA -1.331 54.495 55.803 0.039 0.000 0.987 53 Q CB 1.893 30.655 28.738 0.040 0.000 1.382 53 Q HN 0.478 nan 8.270 nan 0.000 0.403 54 P HA 0.023 nan 4.420 nan 0.000 0.268 54 P C -0.327 176.991 177.300 0.030 0.000 1.205 54 P CA 0.190 63.312 63.100 0.036 0.000 0.771 54 P CB 1.109 32.828 31.700 0.031 0.000 0.858 55 D N 2.729 123.146 120.400 0.030 0.000 2.425 55 D HA 0.156 4.796 4.640 -0.001 0.000 0.240 55 D C 0.350 176.664 176.300 0.023 0.000 1.080 55 D CA -0.496 53.518 54.000 0.022 0.000 0.836 55 D CB 0.958 41.770 40.800 0.020 0.000 1.125 55 D HN 0.116 nan 8.370 nan 0.000 0.525 56 R N 1.867 122.380 120.500 0.022 0.000 2.468 56 R HA 0.058 4.398 4.340 -0.001 0.000 0.280 56 R C 1.486 177.803 176.300 0.029 0.000 0.963 56 R CA 0.030 56.146 56.100 0.027 0.000 1.083 56 R CB 0.228 30.544 30.300 0.026 0.000 1.200 56 R HN 0.440 nan 8.270 nan 0.000 0.541 57 S N 0.329 116.041 115.700 0.020 0.000 2.474 57 S HA -0.027 4.443 4.470 -0.001 0.000 0.235 57 S C 1.071 175.688 174.600 0.029 0.000 0.997 57 S CA 0.672 58.882 58.200 0.016 0.000 0.949 57 S CB -0.034 63.165 63.200 -0.002 0.000 0.766 57 S HN 0.209 nan 8.310 nan 0.000 0.517 58 N N 1.130 119.856 118.700 0.043 0.000 2.230 58 N HA 0.128 4.868 4.740 -0.001 0.000 0.202 58 N C -0.016 175.575 175.510 0.136 0.000 1.119 58 N CA 0.190 53.293 53.050 0.087 0.000 0.851 58 N CB 0.169 38.696 38.487 0.066 0.000 0.990 58 N HN 0.338 nan 8.380 nan 0.000 0.497 59 D N 1.707 122.162 120.400 0.091 0.000 2.092 59 D HA -0.146 4.494 4.640 -0.001 0.000 0.193 59 D C 1.239 177.594 176.300 0.092 0.000 0.994 59 D CA 1.297 55.345 54.000 0.081 0.000 0.828 59 D CB 0.029 40.865 40.800 0.060 0.000 0.963 59 D HN 0.188 nan 8.370 nan 0.000 0.450 60 D N -0.520 119.940 120.400 0.101 0.000 2.144 60 D HA -0.117 4.523 4.640 -0.001 0.000 0.200 60 D C 1.912 178.274 176.300 0.104 0.000 0.978 60 D CA 0.257 54.312 54.000 0.092 0.000 0.833 60 D CB -0.421 40.432 40.800 0.088 0.000 0.961 60 D HN 0.180 nan 8.370 nan 0.000 0.470 61 F N 1.660 121.620 119.950 0.018 0.000 2.126 61 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 61 F C 2.171 177.982 175.800 0.018 0.000 1.096 61 F CA 1.095 59.105 58.000 0.015 0.000 1.255 61 F CB -0.213 38.794 39.000 0.011 0.000 0.997 61 F HN -0.228 nan 8.300 nan 0.000 0.479 62 V N 0.814 120.790 119.914 0.102 0.000 2.295 62 V HA -0.311 3.809 4.120 -0.001 0.000 0.246 62 V C 2.489 178.543 176.094 -0.067 0.000 1.049 62 V CA 2.003 64.307 62.300 0.007 0.000 1.024 62 V CB -0.745 31.122 31.823 0.073 0.000 0.648 62 V HN 0.379 nan 8.190 nan 0.000 0.447 63 L N -0.565 120.644 121.223 -0.023 0.000 2.012 63 L HA -0.269 4.070 4.340 -0.001 0.000 0.210 63 L C 2.680 179.548 176.870 -0.005 0.000 1.073 63 L CA 1.845 56.676 54.840 -0.015 0.000 0.748 63 L CB -0.684 41.382 42.059 0.013 0.000 0.891 63 L HN 0.374 nan 8.230 nan 0.000 0.431 64 Q N -0.370 119.399 119.800 -0.052 0.000 2.119 64 Q HA -0.117 4.222 4.340 -0.001 0.000 0.201 64 Q C 2.317 178.230 176.000 -0.146 0.000 0.972 64 Q CA 1.303 57.064 55.803 -0.070 0.000 0.847 64 Q CB -0.327 28.339 28.738 -0.120 0.000 0.903 64 Q HN 0.606 nan 8.270 nan 0.000 0.433 65 G N 0.856 109.479 108.800 -0.294 0.000 2.404 65 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.215 65 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.215 65 G C 1.387 176.235 174.900 -0.087 0.000 1.174 65 G CA 0.454 45.385 45.100 -0.283 0.000 0.780 65 G HN 0.162 nan 8.290 nan 0.000 0.537 66 L N -0.667 120.518 121.223 -0.064 0.000 2.017 66 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 66 L C 2.591 179.495 176.870 0.057 0.000 1.073 66 L CA 0.835 55.662 54.840 -0.022 0.000 0.745 66 L CB -0.427 41.600 42.059 -0.052 0.000 0.894 66 L HN 0.150 nan 8.230 nan 0.000 0.432 67 F N 1.081 120.962 119.950 -0.115 0.000 2.171 67 F HA -0.168 4.358 4.527 -0.001 0.000 0.300 67 F C 2.438 178.193 175.800 -0.074 0.000 1.090 67 F CA 0.992 58.926 58.000 -0.110 0.000 1.293 67 F CB -0.687 38.235 39.000 -0.130 0.000 1.013 67 F HN 0.024 nan 8.300 nan 0.000 0.486 68 A N -0.685 122.184 122.820 0.082 0.000 2.125 68 A HA -0.169 4.151 4.320 -0.001 0.000 0.219 68 A C 1.980 179.669 177.584 0.174 0.000 1.156 68 A CA 2.008 54.056 52.037 0.018 0.000 0.671 68 A CB -1.340 17.613 19.000 -0.077 0.000 0.794 68 A HN 0.471 nan 8.150 nan 0.000 0.459 69 T N -2.686 111.943 114.554 0.125 0.000 3.086 69 T HA 0.393 4.742 4.350 -0.001 0.000 0.250 69 T C 0.549 175.230 174.700 -0.033 0.000 1.074 69 T CA -0.342 61.772 62.100 0.023 0.000 0.988 69 T CB -0.531 68.317 68.868 -0.032 0.000 0.988 69 T HN 0.272 nan 8.240 nan 0.000 0.530 70 I N 2.999 123.582 120.570 0.022 0.000 2.754 70 I HA 0.050 4.219 4.170 -0.001 0.000 0.285 70 I C 0.632 176.708 176.117 -0.068 0.000 1.166 70 I CA -0.268 61.028 61.300 -0.007 0.000 1.417 70 I CB 0.542 38.597 38.000 0.092 0.000 1.382 70 I HN 0.139 nan 8.210 nan 0.000 0.588 71 T N 6.207 120.694 114.554 -0.112 0.000 2.905 71 T HA -0.069 4.281 4.350 -0.001 0.000 0.299 71 T C 0.712 175.368 174.700 -0.072 0.000 1.024 71 T CA 0.228 62.241 62.100 -0.144 0.000 1.151 71 T CB -0.153 68.573 68.868 -0.237 0.000 0.987 71 T HN 0.709 nan 8.240 nan 0.000 0.535 72 N N 0.021 118.678 118.700 -0.073 0.000 2.741 72 N HA -0.227 4.513 4.740 -0.001 0.000 0.250 72 N C 0.776 176.375 175.510 0.149 0.000 1.115 72 N CA 0.925 54.081 53.050 0.177 0.000 0.724 72 N CB -1.336 37.283 38.487 0.221 0.000 1.090 72 N HN 0.775 nan 8.380 nan 0.000 0.558 73 A N -0.562 122.224 122.820 -0.057 0.000 1.909 73 A HA 0.151 4.471 4.320 -0.001 0.000 0.209 73 A C 0.897 178.469 177.584 -0.020 0.000 1.247 73 A CA 0.932 52.968 52.037 -0.002 0.000 0.660 73 A CB 0.388 19.378 19.000 -0.017 0.000 0.910 73 A HN 0.259 nan 8.150 nan 0.000 0.465 74 N N -1.905 116.694 118.700 -0.168 0.000 2.397 74 N HA 0.286 5.026 4.740 -0.001 0.000 0.291 74 N C -1.465 173.993 175.510 -0.088 0.000 1.065 74 N CA -0.453 52.571 53.050 -0.043 0.000 0.884 74 N CB 1.156 39.562 38.487 -0.135 0.000 1.551 74 N HN 0.289 nan 8.380 nan 0.000 0.487 75 W N 0.360 121.798 121.300 0.230 0.000 3.008 75 W HA 0.272 4.932 4.660 -0.001 0.000 0.355 75 W C 0.252 176.834 176.519 0.104 0.000 1.095 75 W CA -0.367 57.083 57.345 0.175 0.000 1.738 75 W CB 0.648 30.178 29.460 0.118 0.000 1.091 75 W HN 0.391 nan 8.180 nan 0.000 0.574 76 D N 0.757 121.310 120.400 0.254 0.000 2.428 76 D HA 0.037 4.676 4.640 -0.001 0.000 0.221 76 D C 0.909 177.309 176.300 0.167 0.000 1.123 76 D CA 0.248 54.319 54.000 0.118 0.000 0.869 76 D CB 0.843 41.651 40.800 0.014 0.000 1.032 76 D HN -0.114 nan 8.370 nan 0.000 0.506 77 D N 2.828 123.348 120.400 0.199 0.000 2.178 77 D HA -0.142 4.497 4.640 -0.001 0.000 0.201 77 D C 1.821 178.235 176.300 0.190 0.000 0.980 77 D CA 1.048 55.199 54.000 0.252 0.000 0.842 77 D CB 0.018 40.913 40.800 0.158 0.000 0.948 77 D HN 0.553 nan 8.370 nan 0.000 0.472 78 A N 1.025 123.901 122.820 0.094 0.000 1.940 78 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 78 A C 2.162 179.761 177.584 0.024 0.000 1.176 78 A CA 1.117 53.189 52.037 0.058 0.000 0.631 78 A CB -0.223 18.788 19.000 0.019 0.000 0.814 78 A HN 0.039 nan 8.150 nan 0.000 0.446 79 R N -1.348 119.112 120.500 -0.067 0.000 2.075 79 R HA -0.072 4.267 4.340 -0.001 0.000 0.232 79 R C 1.824 177.998 176.300 -0.210 0.000 1.126 79 R CA 1.340 57.316 56.100 -0.207 0.000 0.963 79 R CB -0.889 29.174 30.300 -0.394 0.000 0.858 79 R HN 0.603 nan 8.270 nan 0.000 0.435 80 F N 1.522 121.482 119.950 0.018 0.000 2.146 80 F HA -0.104 4.422 4.527 -0.001 0.000 0.298 80 F C 2.408 178.266 175.800 0.096 0.000 1.096 80 F CA 1.148 59.164 58.000 0.026 0.000 1.275 80 F CB -0.432 38.569 39.000 0.002 0.000 1.008 80 F HN 0.084 nan 8.300 nan 0.000 0.480 81 E N 0.097 120.490 120.200 0.321 0.000 2.077 81 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 81 E C 2.438 179.252 176.600 0.358 0.000 0.989 81 E CA 1.095 57.749 56.400 0.423 0.000 0.800 81 E CB -0.388 29.509 29.700 0.328 0.000 0.746 81 E HN 0.378 nan 8.360 nan 0.000 0.452 82 A N 1.096 124.035 122.820 0.198 0.000 1.902 82 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 82 A C 2.160 179.853 177.584 0.182 0.000 1.181 82 A CA 1.332 53.461 52.037 0.153 0.000 0.623 82 A CB -0.415 18.626 19.000 0.069 0.000 0.818 82 A HN 0.137 nan 8.150 nan 0.000 0.443 83 M N -0.885 118.813 119.600 0.162 0.000 2.132 83 M HA -0.073 4.407 4.480 -0.001 0.000 0.263 83 M C 2.081 178.569 176.300 0.314 0.000 1.065 83 M CA 1.417 56.858 55.300 0.235 0.000 1.122 83 M CB -0.468 32.175 32.600 0.072 0.000 1.365 83 M HN 0.402 nan 8.290 nan 0.000 0.411 84 I N -0.593 120.103 120.570 0.211 0.000 2.179 84 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 84 I C 2.459 178.670 176.117 0.156 0.000 1.088 84 I CA 1.147 62.500 61.300 0.089 0.000 1.357 84 I CB -0.350 37.483 38.000 -0.279 0.000 1.051 84 I HN 0.197 nan 8.210 nan 0.000 0.409 85 S N -0.028 115.848 115.700 0.292 0.000 2.368 85 S HA -0.251 4.218 4.470 -0.001 0.000 0.225 85 S C 1.966 176.649 174.600 0.138 0.000 1.030 85 S CA 1.508 59.883 58.200 0.292 0.000 0.999 85 S CB -0.303 63.072 63.200 0.292 0.000 0.844 85 S HN 0.466 nan 8.310 nan 0.000 0.459 86 E N 0.726 120.997 120.200 0.118 0.000 2.077 86 E HA -0.124 4.226 4.350 -0.001 0.000 0.193 86 E C 2.189 178.670 176.600 -0.199 0.000 0.989 86 E CA 1.080 57.469 56.400 -0.019 0.000 0.800 86 E CB -0.433 29.292 29.700 0.041 0.000 0.746 86 E HN 0.513 nan 8.360 nan 0.000 0.452 87 G N 1.115 109.887 108.800 -0.046 0.000 2.418 87 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.217 87 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.217 87 G C 1.563 176.435 174.900 -0.047 0.000 1.158 87 G CA 0.684 45.736 45.100 -0.079 0.000 0.771 87 G HN 0.203 nan 8.290 nan 0.000 0.545 88 L N 0.574 121.815 121.223 0.030 0.000 2.056 88 L HA -0.031 4.308 4.340 -0.001 0.000 0.207 88 L C 3.401 180.255 176.870 -0.026 0.000 1.078 88 L CA 0.988 55.849 54.840 0.035 0.000 0.749 88 L CB -0.355 41.753 42.059 0.082 0.000 0.901 88 L HN 0.306 nan 8.230 nan 0.000 0.433 89 A N 0.090 122.880 122.820 -0.050 0.000 1.902 89 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 89 A C 2.376 179.891 177.584 -0.116 0.000 1.181 89 A CA 1.416 53.407 52.037 -0.075 0.000 0.623 89 A CB -0.436 18.523 19.000 -0.069 0.000 0.818 89 A HN 0.306 nan 8.150 nan 0.000 0.443 90 R N -1.033 119.358 120.500 -0.182 0.000 2.096 90 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 90 R C 2.526 178.749 176.300 -0.128 0.000 1.127 90 R CA 1.406 57.385 56.100 -0.202 0.000 0.968 90 R CB -0.295 29.780 30.300 -0.375 0.000 0.861 90 R HN 0.545 nan 8.270 nan 0.000 0.440 91 R N 0.889 121.334 120.500 -0.091 0.000 2.081 91 R HA -0.146 4.193 4.340 -0.001 0.000 0.235 91 R C 1.106 177.341 176.300 -0.109 0.000 1.131 91 R CA 1.937 58.020 56.100 -0.030 0.000 0.960 91 R CB -0.070 30.254 30.300 0.041 0.000 0.856 91 R HN 0.133 nan 8.270 nan 0.000 0.436 92 D N 0.395 120.731 120.400 -0.106 0.000 2.144 92 D HA -0.116 4.523 4.640 -0.001 0.000 0.200 92 D C 1.747 177.949 176.300 -0.163 0.000 0.978 92 D CA 1.131 55.046 54.000 -0.141 0.000 0.833 92 D CB -0.023 40.722 40.800 -0.091 0.000 0.961 92 D HN 0.261 nan 8.370 nan 0.000 0.470 93 K N 0.190 120.513 120.400 -0.129 0.000 2.063 93 K HA -0.069 4.251 4.320 -0.001 0.000 0.208 93 K C 2.256 178.778 176.600 -0.130 0.000 1.048 93 K CA 0.652 56.871 56.287 -0.112 0.000 0.928 93 K CB -0.155 32.291 32.500 -0.090 0.000 0.713 93 K HN 0.165 nan 8.250 nan 0.000 0.442 94 L N 0.460 121.595 121.223 -0.147 0.000 2.056 94 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 94 L C 2.747 179.441 176.870 -0.294 0.000 1.078 94 L CA 1.057 55.814 54.840 -0.140 0.000 0.749 94 L CB -0.396 41.627 42.059 -0.060 0.000 0.901 94 L HN 0.223 nan 8.230 nan 0.000 0.433 95 R N 0.487 120.602 120.500 -0.641 0.000 2.094 95 R HA -0.203 4.137 4.340 -0.001 0.000 0.239 95 R C 2.093 178.197 176.300 -0.325 0.000 1.137 95 R CA 2.054 57.588 56.100 -0.942 0.000 0.943 95 R CB -0.156 29.588 30.300 -0.926 0.000 0.850 95 R HN 0.377 nan 8.270 nan 0.000 0.433 96 N N 0.411 118.980 118.700 -0.218 0.000 2.166 96 N HA -0.134 4.606 4.740 -0.001 0.000 0.186 96 N C 1.578 177.039 175.510 -0.083 0.000 1.019 96 N CA 1.473 54.451 53.050 -0.119 0.000 0.856 96 N CB -0.379 38.051 38.487 -0.095 0.000 0.993 96 N HN 0.367 nan 8.380 nan 0.000 0.426 97 A N 0.697 123.477 122.820 -0.067 0.000 1.898 97 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 97 A C 2.099 179.686 177.584 0.005 0.000 1.181 97 A CA 0.940 52.962 52.037 -0.025 0.000 0.620 97 A CB -0.941 18.054 19.000 -0.009 0.000 0.819 97 A HN 0.297 nan 8.150 nan 0.000 0.442 98 F N 0.864 120.750 119.950 -0.106 0.000 2.095 98 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 98 F C 1.840 177.621 175.800 -0.031 0.000 1.104 98 F CA 1.751 59.712 58.000 -0.065 0.000 1.232 98 F CB -0.447 38.505 39.000 -0.080 0.000 0.987 98 F HN 0.139 nan 8.300 nan 0.000 0.475 99 L N 0.147 121.163 121.223 -0.345 0.000 2.042 99 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 99 L C 2.826 179.569 176.870 -0.212 0.000 1.076 99 L CA 1.314 55.938 54.840 -0.361 0.000 0.749 99 L CB -1.286 40.698 42.059 -0.124 0.000 0.893 99 L HN 0.313 nan 8.230 nan 0.000 0.432 100 A N -0.531 122.209 122.820 -0.134 0.000 1.897 100 A HA -0.101 4.219 4.320 -0.001 0.000 0.215 100 A C 2.304 179.842 177.584 -0.076 0.000 1.181 100 A CA 1.456 53.447 52.037 -0.075 0.000 0.620 100 A CB -0.656 18.313 19.000 -0.052 0.000 0.821 100 A HN 0.186 nan 8.150 nan 0.000 0.443 101 V N -1.440 118.418 119.914 -0.094 0.000 2.358 101 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 101 V C 2.330 178.366 176.094 -0.096 0.000 1.047 101 V CA 1.957 64.216 62.300 -0.068 0.000 1.035 101 V CB -1.073 30.740 31.823 -0.016 0.000 0.658 101 V HN 0.703 nan 8.190 nan 0.000 0.452 102 Y N 1.331 121.426 120.300 -0.342 0.000 2.128 102 Y HA -0.312 4.238 4.550 -0.001 0.000 0.284 102 Y C 2.669 178.482 175.900 -0.144 0.000 1.154 102 Y CA 2.451 60.365 58.100 -0.309 0.000 1.149 102 Y CB -0.105 37.965 38.460 -0.650 0.000 0.976 102 Y HN 0.156 nan 8.280 nan 0.000 0.505 103 K N -0.027 120.404 120.400 0.052 0.000 2.097 103 K HA -0.142 4.178 4.320 -0.001 0.000 0.205 103 K C 2.208 178.776 176.600 -0.053 0.000 1.050 103 K CA 1.107 57.418 56.287 0.041 0.000 0.938 103 K CB -0.371 32.162 32.500 0.054 0.000 0.718 103 K HN 0.384 nan 8.250 nan 0.000 0.442 104 A N 1.313 124.095 122.820 -0.064 0.000 1.933 104 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 104 A C 1.778 179.309 177.584 -0.089 0.000 1.175 104 A CA 1.374 53.374 52.037 -0.062 0.000 0.628 104 A CB -0.220 18.751 19.000 -0.048 0.000 0.814 104 A HN 0.162 nan 8.150 nan 0.000 0.444 105 K N -0.218 120.099 120.400 -0.138 0.000 2.305 105 K HA 0.079 4.399 4.320 -0.001 0.000 0.199 105 K C 0.769 177.250 176.600 -0.198 0.000 1.047 105 K CA 0.658 56.854 56.287 -0.152 0.000 0.976 105 K CB -0.137 32.270 32.500 -0.154 0.000 0.765 105 K HN 0.506 nan 8.250 nan 0.000 0.474 106 N N -0.363 118.166 118.700 -0.286 0.000 2.227 106 N HA 0.011 4.750 4.740 -0.001 0.000 0.196 106 N C 0.619 176.050 175.510 -0.132 0.000 1.142 106 N CA 0.722 53.603 53.050 -0.281 0.000 0.887 106 N CB 1.303 39.436 38.487 -0.590 0.000 1.022 106 N HN 0.238 nan 8.380 nan 0.000 0.500 107 G N 2.398 111.144 108.800 -0.091 0.000 2.179 107 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.257 107 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.257 107 G C -0.051 174.849 174.900 0.001 0.000 1.010 107 G CA 1.212 46.291 45.100 -0.035 0.000 0.736 107 G HN 0.561 nan 8.290 nan 0.000 0.513 108 K N -1.171 119.251 120.400 0.035 0.000 2.607 108 K HA 0.489 4.809 4.320 -0.001 0.000 0.287 108 K C -1.414 175.302 176.600 0.193 0.000 0.996 108 K CA -1.208 55.134 56.287 0.092 0.000 0.876 108 K CB 1.117 33.674 32.500 0.096 0.000 1.496 108 K HN -0.066 nan 8.250 nan 0.000 0.415 109 D N 1.168 121.658 120.400 0.150 0.000 2.414 109 D HA 0.044 4.683 4.640 -0.001 0.000 0.242 109 D C -0.404 175.996 176.300 0.166 0.000 1.129 109 D CA 0.217 54.309 54.000 0.154 0.000 0.885 109 D CB 0.480 41.324 40.800 0.072 0.000 1.198 109 D HN 0.313 nan 8.370 nan 0.000 0.437 110 F N 1.889 121.743 119.950 -0.160 0.000 2.608 110 F HA -0.060 4.466 4.527 -0.001 0.000 0.380 110 F C 1.318 177.007 175.800 -0.185 0.000 1.083 110 F CA 0.268 57.938 58.000 -0.550 0.000 1.266 110 F CB 0.513 39.105 39.000 -0.680 0.000 1.076 110 F HN 0.184 nan 8.300 nan 0.000 0.574 111 S N 2.207 117.394 115.700 -0.854 0.000 2.787 111 S HA 0.243 4.712 4.470 -0.001 0.000 0.255 111 S C -0.275 173.954 174.600 -0.619 0.000 1.051 111 S CA -0.570 57.311 58.200 -0.531 0.000 1.124 111 S CB -0.172 62.883 63.200 -0.242 0.000 1.104 111 S HN 0.553 nan 8.310 nan 0.000 0.623 112 E N 3.560 123.113 120.200 -1.078 0.000 2.338 112 E HA 0.384 4.733 4.350 -0.001 0.000 0.272 112 E C -2.648 173.779 176.600 -0.288 0.000 1.029 112 E CA -2.193 53.881 56.400 -0.543 0.000 0.872 112 E CB 0.141 29.611 29.700 -0.383 0.000 1.015 112 E HN 0.259 nan 8.360 nan 0.000 0.417 113 P HA 0.079 nan 4.420 nan 0.000 0.266 113 P C -0.414 176.912 177.300 0.043 0.000 1.195 113 P CA 0.279 63.373 63.100 -0.010 0.000 0.768 113 P CB 0.509 32.203 31.700 -0.011 0.000 0.838 114 L N 4.055 125.321 121.223 0.073 0.000 2.323 114 L HA 0.534 4.874 4.340 -0.001 0.000 0.265 114 L C -2.031 174.843 176.870 0.006 0.000 1.012 114 L CA -2.386 52.478 54.840 0.040 0.000 0.820 114 L CB 1.418 43.498 42.059 0.036 0.000 1.334 114 L HN 0.230 nan 8.230 nan 0.000 0.427 115 P HA -0.003 nan 4.420 nan 0.000 0.268 115 P C 0.347 177.638 177.300 -0.014 0.000 1.208 115 P CA -0.094 62.989 63.100 -0.029 0.000 0.777 115 P CB 0.610 32.264 31.700 -0.077 0.000 0.875 116 E N 1.390 121.628 120.200 0.063 0.000 2.209 116 E HA -0.238 4.111 4.350 -0.001 0.000 0.196 116 E C 1.759 178.378 176.600 0.031 0.000 0.993 116 E CA 1.152 57.650 56.400 0.163 0.000 0.819 116 E CB -0.227 29.654 29.700 0.302 0.000 0.745 116 E HN 0.540 nan 8.360 nan 0.000 0.477 117 A N 0.893 123.506 122.820 -0.346 0.000 2.032 117 A HA -0.166 4.153 4.320 -0.001 0.000 0.221 117 A C 2.247 179.558 177.584 -0.454 0.000 1.165 117 A CA 1.739 53.168 52.037 -1.013 0.000 0.645 117 A CB -0.462 18.026 19.000 -0.853 0.000 0.807 117 A HN 0.360 nan 8.150 nan 0.000 0.453 118 A N -1.233 121.446 122.820 -0.236 0.000 2.123 118 A HA 0.162 4.482 4.320 -0.001 0.000 0.214 118 A C 2.073 179.721 177.584 0.108 0.000 1.152 118 A CA 1.980 53.938 52.037 -0.131 0.000 0.728 118 A CB -0.420 18.374 19.000 -0.344 0.000 0.814 118 A HN 0.766 nan 8.150 nan 0.000 0.464 119 T N -6.463 108.157 114.554 0.110 0.000 3.010 119 T HA 0.075 4.425 4.350 -0.001 0.000 0.252 119 T C 0.343 175.152 174.700 0.181 0.000 0.963 119 T CA -0.174 62.020 62.100 0.157 0.000 0.952 119 T CB -0.552 68.406 68.868 0.149 0.000 1.182 119 T HN 0.362 nan 8.240 nan 0.000 0.495 120 W N 3.189 124.557 121.300 0.112 0.000 2.257 120 W HA 0.483 5.143 4.660 0.001 0.000 0.337 120 W C -0.078 176.533 176.519 0.155 0.000 1.321 120 W CA 0.965 58.413 57.345 0.172 0.000 1.267 120 W CB 0.374 30.027 29.460 0.323 0.000 1.187 120 W HN 0.198 nan 8.180 nan 0.000 0.565 121 T N 3.888 117.833 114.554 -1.014 0.000 2.883 121 T HA 0.764 5.114 4.350 -0.001 0.000 0.301 121 T C -0.576 173.222 174.700 -1.503 0.000 1.158 121 T CA -0.067 61.397 62.100 -1.060 0.000 1.007 121 T CB 1.090 69.724 68.868 -0.390 0.000 1.186 121 T HN 0.950 nan 8.240 nan 0.000 0.499 122 G N 1.772 110.023 108.800 -0.916 0.000 2.523 122 G HA2 0.519 4.478 3.960 -0.001 0.000 0.291 122 G HA3 0.519 4.478 3.960 -0.001 0.000 0.291 122 G C -1.594 173.299 174.900 -0.011 0.000 1.450 122 G CA -0.446 44.428 45.100 -0.377 0.000 0.790 122 G HN 0.893 nan 8.290 nan 0.000 0.496 123 D N -1.240 119.124 120.400 -0.060 0.000 2.433 123 D HA 0.389 5.029 4.640 -0.001 0.000 0.255 123 D C 1.809 177.777 176.300 -0.552 0.000 1.226 123 D CA 0.323 54.225 54.000 -0.164 0.000 1.015 123 D CB 0.962 41.681 40.800 -0.134 0.000 1.091 123 D HN 0.552 nan 8.370 nan 0.000 0.527 124 S N -1.257 113.965 115.700 -0.796 0.000 2.419 124 S HA -0.225 4.244 4.470 -0.001 0.000 0.233 124 S C 1.802 175.956 174.600 -0.743 0.000 1.016 124 S CA 1.436 58.799 58.200 -1.395 0.000 0.974 124 S CB -1.499 61.309 63.200 -0.653 0.000 0.786 124 S HN 0.734 nan 8.310 nan 0.000 0.492 125 T N -0.998 113.346 114.554 -0.350 0.000 3.035 125 T HA 0.320 4.670 4.350 -0.001 0.000 0.268 125 T C 1.682 176.357 174.700 -0.043 0.000 1.109 125 T CA 0.686 62.698 62.100 -0.146 0.000 1.119 125 T CB -0.423 68.394 68.868 -0.085 0.000 0.900 125 T HN 0.542 nan 8.240 nan 0.000 0.503 126 A N 0.085 122.904 122.820 -0.000 0.000 2.178 126 A HA 0.373 4.693 4.320 -0.001 0.000 0.211 126 A C 1.671 179.501 177.584 0.410 0.000 1.157 126 A CA -0.051 52.123 52.037 0.229 0.000 0.780 126 A CB -0.724 18.486 19.000 0.350 0.000 0.828 126 A HN 0.428 nan 8.150 nan 0.000 0.476 127 F N 0.441 120.501 119.950 0.183 0.000 2.113 127 F HA -0.069 4.457 4.527 -0.001 0.000 0.297 127 F C 2.762 178.566 175.800 0.007 0.000 1.103 127 F CA 0.393 58.471 58.000 0.129 0.000 1.248 127 F CB -1.332 37.744 39.000 0.127 0.000 0.999 127 F HN 0.295 nan 8.300 nan 0.000 0.475 128 A N -0.239 122.706 122.820 0.208 0.000 1.902 128 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 128 A C 2.167 179.763 177.584 0.020 0.000 1.181 128 A CA 1.974 54.062 52.037 0.085 0.000 0.623 128 A CB -0.754 18.284 19.000 0.063 0.000 0.818 128 A HN 0.300 nan 8.150 nan 0.000 0.443 129 E N -0.071 120.148 120.200 0.032 0.000 2.072 129 E HA -0.161 4.188 4.350 -0.001 0.000 0.190 129 E C 1.997 178.547 176.600 -0.084 0.000 0.982 129 E CA 1.639 58.032 56.400 -0.010 0.000 0.803 129 E CB -0.166 29.547 29.700 0.022 0.000 0.755 129 E HN 0.395 nan 8.360 nan 0.000 0.453 130 K N 0.418 120.749 120.400 -0.115 0.000 2.097 130 K HA 0.006 4.326 4.320 -0.001 0.000 0.206 130 K C 1.844 178.178 176.600 -0.443 0.000 1.049 130 K CA 1.504 57.569 56.287 -0.370 0.000 0.933 130 K CB -0.763 31.308 32.500 -0.715 0.000 0.717 130 K HN 0.153 nan 8.250 nan 0.000 0.442 131 A N 0.914 123.544 122.820 -0.316 0.000 1.978 131 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 131 A C 1.860 179.289 177.584 -0.258 0.000 1.170 131 A CA 1.910 53.764 52.037 -0.304 0.000 0.636 131 A CB -0.480 18.411 19.000 -0.181 0.000 0.810 131 A HN 0.424 nan 8.150 nan 0.000 0.448 132 K N 0.240 120.522 120.400 -0.196 0.000 2.209 132 K HA -0.097 4.222 4.320 -0.001 0.000 0.204 132 K C 1.795 178.289 176.600 -0.176 0.000 1.048 132 K CA 1.503 57.699 56.287 -0.152 0.000 0.940 132 K CB -0.115 32.321 32.500 -0.107 0.000 0.729 132 K HN 0.664 nan 8.250 nan 0.000 0.451 133 S N -0.480 115.076 115.700 -0.239 0.000 2.539 133 S HA 0.038 4.507 4.470 -0.001 0.000 0.221 133 S C 1.194 175.620 174.600 -0.290 0.000 0.987 133 S CA -0.158 57.903 58.200 -0.233 0.000 0.929 133 S CB 0.422 63.492 63.200 -0.217 0.000 0.832 133 S HN 0.105 nan 8.310 nan 0.000 0.492 134 V N -1.641 118.045 119.914 -0.381 0.000 3.214 134 V HA 0.665 4.784 4.120 -0.001 0.000 0.330 134 V C 0.812 176.763 176.094 -0.238 0.000 1.403 134 V CA -0.086 61.957 62.300 -0.429 0.000 1.143 134 V CB -0.372 30.859 31.823 -0.987 0.000 1.098 134 V HN 0.345 nan 8.190 nan 0.000 0.463 135 G N 0.191 108.880 108.800 -0.186 0.000 2.543 135 G HA2 0.468 4.427 3.960 -0.001 0.000 0.267 135 G HA3 0.468 4.427 3.960 -0.001 0.000 0.267 135 G C 0.672 175.511 174.900 -0.102 0.000 1.406 135 G CA -0.453 44.573 45.100 -0.123 0.000 1.048 135 G HN 0.180 nan 8.290 nan 0.000 0.548 136 I N -0.228 120.289 120.570 -0.088 0.000 2.264 136 I HA -0.141 4.029 4.170 -0.001 0.000 0.248 136 I C 2.356 178.355 176.117 -0.197 0.000 1.111 136 I CA 0.959 62.190 61.300 -0.114 0.000 1.382 136 I CB -0.103 37.823 38.000 -0.124 0.000 1.060 136 I HN 0.213 nan 8.210 nan 0.000 0.418 137 L N 0.337 121.398 121.223 -0.270 0.000 2.551 137 L HA -0.030 4.309 4.340 -0.001 0.000 0.228 137 L C 2.586 179.344 176.870 -0.185 0.000 1.153 137 L CA 0.330 54.984 54.840 -0.310 0.000 0.851 137 L CB -0.661 41.171 42.059 -0.378 0.000 0.959 137 L HN 0.212 nan 8.230 nan 0.000 0.451 138 A N -0.592 122.144 122.820 -0.140 0.000 2.067 138 A HA -0.065 4.254 4.320 -0.001 0.000 0.219 138 A C 1.258 178.798 177.584 -0.074 0.000 1.158 138 A CA 0.951 52.927 52.037 -0.101 0.000 0.661 138 A CB -0.487 18.460 19.000 -0.088 0.000 0.801 138 A HN 0.294 nan 8.150 nan 0.000 0.452 139 T N 0.213 114.723 114.554 -0.073 0.000 2.729 139 T HA 0.291 4.641 4.350 -0.001 0.000 0.296 139 T C 0.827 175.491 174.700 -0.060 0.000 0.928 139 T CA 0.099 62.171 62.100 -0.047 0.000 1.045 139 T CB 1.500 70.355 68.868 -0.022 0.000 0.902 139 T HN 0.476 nan 8.240 nan 0.000 0.500 140 E N 3.282 123.453 120.200 -0.047 0.000 2.086 140 E HA -0.023 4.327 4.350 -0.001 0.000 0.190 140 E C 1.014 177.593 176.600 -0.034 0.000 0.975 140 E CA 0.393 56.762 56.400 -0.051 0.000 0.813 140 E CB 0.219 29.895 29.700 -0.041 0.000 0.768 140 E HN 0.587 nan 8.360 nan 0.000 0.457 141 N N 0.986 119.677 118.700 -0.016 0.000 2.497 141 N HA -0.079 4.661 4.740 -0.001 0.000 0.271 141 N C 0.629 176.147 175.510 0.013 0.000 1.142 141 N CA 0.336 53.386 53.050 -0.001 0.000 0.965 141 N CB 0.909 39.398 38.487 0.004 0.000 1.077 141 N HN 0.313 nan 8.380 nan 0.000 0.462 142 E N 2.703 122.916 120.200 0.022 0.000 2.208 142 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 142 E C 0.069 176.709 176.600 0.066 0.000 0.988 142 E CA 0.972 57.401 56.400 0.049 0.000 0.828 142 E CB 0.114 29.845 29.700 0.052 0.000 0.763 142 E HN 0.528 nan 8.360 nan 0.000 0.478 143 D N 1.098 121.526 120.400 0.048 0.000 2.137 143 D HA -0.076 4.563 4.640 -0.001 0.000 0.202 143 D C 2.224 178.555 176.300 0.052 0.000 0.970 143 D CA 0.979 55.009 54.000 0.049 0.000 0.837 143 D CB -0.078 40.743 40.800 0.035 0.000 0.981 143 D HN 0.116 nan 8.370 nan 0.000 0.475 144 V N 1.281 121.220 119.914 0.041 0.000 2.343 144 V HA -0.217 3.902 4.120 -0.001 0.000 0.247 144 V C 2.587 178.713 176.094 0.055 0.000 1.051 144 V CA 1.548 63.871 62.300 0.038 0.000 1.036 144 V CB -0.460 31.377 31.823 0.022 0.000 0.654 144 V HN 0.133 nan 8.190 nan 0.000 0.451 145 R N 0.009 120.549 120.500 0.067 0.000 2.083 145 R HA -0.197 4.143 4.340 -0.001 0.000 0.237 145 R C 2.643 179.048 176.300 0.175 0.000 1.137 145 R CA 2.002 58.167 56.100 0.108 0.000 0.951 145 R CB -0.491 29.871 30.300 0.104 0.000 0.851 145 R HN 0.486 nan 8.270 nan 0.000 0.434 146 S N 0.269 116.068 115.700 0.165 0.000 2.356 146 S HA -0.093 4.377 4.470 -0.001 0.000 0.223 146 S C 2.002 176.674 174.600 0.121 0.000 1.032 146 S CA 1.219 59.519 58.200 0.166 0.000 1.005 146 S CB -0.168 63.104 63.200 0.119 0.000 0.867 146 S HN 0.381 nan 8.310 nan 0.000 0.449 147 L N 0.571 121.846 121.223 0.087 0.000 2.109 147 L HA 0.037 4.377 4.340 -0.001 0.000 0.207 147 L C 2.909 179.807 176.870 0.048 0.000 1.086 147 L CA 1.031 55.910 54.840 0.065 0.000 0.760 147 L CB -0.364 41.728 42.059 0.055 0.000 0.910 147 L HN 0.242 nan 8.230 nan 0.000 0.437 148 R N -0.353 120.176 120.500 0.048 0.000 2.075 148 R HA -0.117 4.223 4.340 -0.001 0.000 0.232 148 R C 2.169 178.479 176.300 0.016 0.000 1.126 148 R CA 1.005 57.120 56.100 0.025 0.000 0.963 148 R CB -0.116 30.200 30.300 0.025 0.000 0.858 148 R HN 0.296 nan 8.270 nan 0.000 0.435 149 E N 0.708 120.941 120.200 0.056 0.000 2.112 149 E HA -0.121 4.229 4.350 -0.001 0.000 0.190 149 E C 1.977 178.489 176.600 -0.146 0.000 0.979 149 E CA 0.494 56.910 56.400 0.026 0.000 0.814 149 E CB -0.214 29.631 29.700 0.242 0.000 0.762 149 E HN 0.130 nan 8.360 nan 0.000 0.460 150 L N 1.240 122.409 121.223 -0.089 0.000 2.042 150 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 150 L C 2.251 179.061 176.870 -0.100 0.000 1.076 150 L CA 1.339 56.114 54.840 -0.108 0.000 0.749 150 L CB -0.707 41.393 42.059 0.070 0.000 0.893 150 L HN 0.126 nan 8.230 nan 0.000 0.432 151 L N -0.509 120.687 121.223 -0.045 0.000 2.017 151 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 151 L C 2.338 179.167 176.870 -0.067 0.000 1.073 151 L CA 1.954 56.778 54.840 -0.026 0.000 0.745 151 L CB -0.540 41.513 42.059 -0.010 0.000 0.894 151 L HN 0.316 nan 8.230 nan 0.000 0.432 152 I N -0.948 119.567 120.570 -0.093 0.000 2.315 152 I HA -0.283 3.887 4.170 -0.001 0.000 0.248 152 I C 2.407 178.442 176.117 -0.138 0.000 1.117 152 I CA 1.274 62.510 61.300 -0.106 0.000 1.404 152 I CB -0.254 37.694 38.000 -0.085 0.000 1.071 152 I HN 0.250 nan 8.210 nan 0.000 0.419 153 I N 0.773 121.218 120.570 -0.208 0.000 2.179 153 I HA -0.209 3.960 4.170 -0.001 0.000 0.242 153 I C 2.695 178.698 176.117 -0.190 0.000 1.088 153 I CA 1.701 62.838 61.300 -0.271 0.000 1.357 153 I CB -0.815 36.842 38.000 -0.571 0.000 1.051 153 I HN 0.251 nan 8.210 nan 0.000 0.409 154 G N 0.793 109.503 108.800 -0.150 0.000 2.440 154 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.218 154 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.218 154 G C 1.660 176.517 174.900 -0.071 0.000 1.154 154 G CA 0.595 45.644 45.100 -0.086 0.000 0.767 154 G HN 0.249 nan 8.290 nan 0.000 0.552 155 L N 0.389 121.578 121.223 -0.058 0.000 2.083 155 L HA 0.065 4.404 4.340 -0.001 0.000 0.209 155 L C 2.764 179.575 176.870 -0.099 0.000 1.083 155 L CA 1.868 56.682 54.840 -0.042 0.000 0.752 155 L CB -0.316 41.703 42.059 -0.066 0.000 0.899 155 L HN 0.127 nan 8.230 nan 0.000 0.433 156 K N -0.928 119.394 120.400 -0.129 0.000 2.057 156 K HA -0.106 4.214 4.320 -0.001 0.000 0.207 156 K C 2.003 178.445 176.600 -0.262 0.000 1.049 156 K CA 1.185 57.376 56.287 -0.160 0.000 0.931 156 K CB -0.657 31.761 32.500 -0.138 0.000 0.714 156 K HN 0.540 nan 8.250 nan 0.000 0.440 157 G N 0.854 109.494 108.800 -0.266 0.000 2.421 157 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.216 157 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.216 157 G C 1.555 176.143 174.900 -0.520 0.000 1.171 157 G CA 0.770 45.621 45.100 -0.416 0.000 0.775 157 G HN 0.102 nan 8.290 nan 0.000 0.543 158 V N 1.583 121.344 119.914 -0.256 0.000 2.343 158 V HA -0.147 3.973 4.120 -0.001 0.000 0.247 158 V C 3.322 179.324 176.094 -0.153 0.000 1.051 158 V CA 2.005 64.230 62.300 -0.125 0.000 1.036 158 V CB -0.835 30.983 31.823 -0.008 0.000 0.654 158 V HN 0.484 nan 8.190 nan 0.000 0.451 159 A N -0.068 122.635 122.820 -0.195 0.000 1.933 159 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 159 A C 2.435 179.820 177.584 -0.333 0.000 1.175 159 A CA 2.016 53.944 52.037 -0.181 0.000 0.628 159 A CB -0.718 18.197 19.000 -0.142 0.000 0.814 159 A HN 0.566 nan 8.150 nan 0.000 0.444 160 A N -0.978 121.438 122.820 -0.672 0.000 1.877 160 A HA -0.089 4.230 4.320 -0.001 0.000 0.216 160 A C 2.088 179.368 177.584 -0.506 0.000 1.186 160 A CA 1.684 52.972 52.037 -1.248 0.000 0.620 160 A CB -0.848 17.160 19.000 -1.652 0.000 0.822 160 A HN 0.547 nan 8.150 nan 0.000 0.443 161 Y N -0.153 120.003 120.300 -0.240 0.000 2.224 161 Y HA -0.042 4.508 4.550 -0.001 0.000 0.289 161 Y C 2.946 178.838 175.900 -0.014 0.000 1.146 161 Y CA 0.229 58.309 58.100 -0.032 0.000 1.182 161 Y CB -1.206 37.234 38.460 -0.034 0.000 0.983 161 Y HN 0.329 nan 8.280 nan 0.000 0.524 162 A N -0.084 122.789 122.820 0.089 0.000 1.972 162 A HA -0.212 4.108 4.320 -0.001 0.000 0.219 162 A C 2.183 179.800 177.584 0.056 0.000 1.169 162 A CA 1.824 53.900 52.037 0.066 0.000 0.635 162 A CB -0.566 18.455 19.000 0.035 0.000 0.810 162 A HN 0.369 nan 8.150 nan 0.000 0.446 163 E N -0.091 120.101 120.200 -0.014 0.000 2.077 163 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 163 E C 1.852 178.463 176.600 0.018 0.000 0.989 163 E CA 1.678 58.074 56.400 -0.006 0.000 0.800 163 E CB -0.445 29.264 29.700 0.016 0.000 0.746 163 E HN 0.710 nan 8.360 nan 0.000 0.452 164 H N -0.331 118.845 119.070 0.177 0.000 2.387 164 H HA 0.009 4.564 4.556 -0.000 0.000 0.299 164 H C 1.892 177.312 175.328 0.154 0.000 1.090 164 H CA 1.414 57.573 56.048 0.184 0.000 1.332 164 H CB -0.483 29.396 29.762 0.195 0.000 1.386 164 H HN 0.346 nan 8.280 nan 0.000 0.516 165 A N 1.237 124.199 122.820 0.238 0.000 1.902 165 A HA -0.081 4.239 4.320 -0.001 0.000 0.217 165 A C 2.714 180.442 177.584 0.240 0.000 1.181 165 A CA 1.726 53.879 52.037 0.194 0.000 0.623 165 A CB -0.786 18.299 19.000 0.142 0.000 0.818 165 A HN 0.428 nan 8.150 nan 0.000 0.443 166 A N -0.623 122.304 122.820 0.178 0.000 1.933 166 A HA 0.006 4.326 4.320 -0.001 0.000 0.218 166 A C 2.196 179.868 177.584 0.147 0.000 1.175 166 A CA 1.664 53.788 52.037 0.145 0.000 0.628 166 A CB -0.929 18.131 19.000 0.101 0.000 0.814 166 A HN 0.386 nan 8.150 nan 0.000 0.444 167 V N -0.071 119.940 119.914 0.162 0.000 2.392 167 V HA -0.239 3.881 4.120 -0.001 0.000 0.249 167 V C 2.261 178.464 176.094 0.183 0.000 1.059 167 V CA 1.962 64.362 62.300 0.165 0.000 1.051 167 V CB -0.565 31.379 31.823 0.201 0.000 0.658 167 V HN 0.583 nan 8.190 nan 0.000 0.455 168 L N -0.186 121.178 121.223 0.236 0.000 2.591 168 L HA 0.300 4.639 4.340 -0.001 0.000 0.228 168 L C 1.605 178.663 176.870 0.313 0.000 1.133 168 L CA 0.823 55.829 54.840 0.277 0.000 0.880 168 L CB -0.161 42.066 42.059 0.280 0.000 1.033 168 L HN 0.539 nan 8.230 nan 0.000 0.450 169 G N -0.365 108.553 108.800 0.196 0.000 2.141 169 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.231 169 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.231 169 G C -0.074 174.709 174.900 -0.195 0.000 0.984 169 G CA -0.555 44.536 45.100 -0.015 0.000 0.660 169 G HN 0.184 nan 8.290 nan 0.000 0.525 170 F N 0.290 120.254 119.950 0.024 0.000 2.426 170 F HA 0.791 5.318 4.527 -0.001 0.000 0.348 170 F C 0.512 176.325 175.800 0.021 0.000 1.124 170 F CA -0.868 57.142 58.000 0.016 0.000 1.008 170 F CB 1.926 40.933 39.000 0.012 0.000 1.139 170 F HN 0.257 nan 8.300 nan 0.000 0.452 171 R N 2.578 123.151 120.500 0.122 0.000 2.740 171 R HA 0.635 4.974 4.340 -0.001 0.000 0.273 171 R C -1.998 174.341 176.300 0.065 0.000 0.998 171 R CA -0.803 55.348 56.100 0.086 0.000 0.900 171 R CB 1.761 32.091 30.300 0.050 0.000 1.223 171 R HN 0.591 nan 8.270 nan 0.000 0.466 172 K N 1.545 121.979 120.400 0.056 0.000 2.443 172 K HA 0.221 4.541 4.320 -0.001 0.000 0.252 172 K C -0.088 176.535 176.600 0.038 0.000 0.933 172 K CA -0.694 55.618 56.287 0.041 0.000 0.792 172 K CB 2.225 34.746 32.500 0.035 0.000 1.185 172 K HN 0.699 nan 8.250 nan 0.000 0.425 173 T N 1.491 116.064 114.554 0.032 0.000 2.759 173 T HA -0.148 4.201 4.350 -0.001 0.000 0.269 173 T C 1.038 175.765 174.700 0.044 0.000 1.042 173 T CA 1.910 64.031 62.100 0.035 0.000 1.140 173 T CB 0.094 68.980 68.868 0.029 0.000 0.864 173 T HN 0.554 nan 8.240 nan 0.000 0.455 174 E N 0.608 120.832 120.200 0.039 0.000 2.153 174 E HA -0.028 4.322 4.350 -0.001 0.000 0.194 174 E C 2.027 178.671 176.600 0.075 0.000 0.988 174 E CA 1.019 57.446 56.400 0.045 0.000 0.811 174 E CB -0.263 29.445 29.700 0.013 0.000 0.746 174 E HN 0.585 nan 8.360 nan 0.000 0.466 175 I N 1.151 121.757 120.570 0.061 0.000 2.163 175 I HA -0.257 3.913 4.170 -0.001 0.000 0.240 175 I C 1.671 177.855 176.117 0.112 0.000 1.081 175 I CA 1.295 62.646 61.300 0.086 0.000 1.353 175 I CB -0.284 37.750 38.000 0.055 0.000 1.054 175 I HN 0.095 nan 8.210 nan 0.000 0.407 176 D N 0.653 121.098 120.400 0.076 0.000 2.178 176 D HA -0.165 4.475 4.640 -0.001 0.000 0.202 176 D C 1.977 178.312 176.300 0.057 0.000 0.974 176 D CA 1.156 55.193 54.000 0.061 0.000 0.841 176 D CB -0.152 40.678 40.800 0.050 0.000 0.953 176 D HN 0.480 nan 8.370 nan 0.000 0.478 177 E N 0.161 120.404 120.200 0.072 0.000 2.077 177 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 177 E C 1.843 178.494 176.600 0.085 0.000 0.989 177 E CA 0.533 56.974 56.400 0.067 0.000 0.800 177 E CB -0.155 29.591 29.700 0.076 0.000 0.746 177 E HN 0.196 nan 8.360 nan 0.000 0.452 178 F N 1.124 121.065 119.950 -0.014 0.000 2.234 178 F HA -0.152 4.374 4.527 -0.000 0.000 0.299 178 F C 2.022 177.806 175.800 -0.026 0.000 1.087 178 F CA 0.977 58.964 58.000 -0.022 0.000 1.340 178 F CB 0.018 39.000 39.000 -0.030 0.000 1.031 178 F HN -0.049 nan 8.300 nan 0.000 0.500 179 M N 0.013 119.567 119.600 -0.076 0.000 2.082 179 M HA -0.247 4.232 4.480 -0.001 0.000 0.258 179 M C 2.300 178.471 176.300 -0.216 0.000 1.069 179 M CA 1.715 56.920 55.300 -0.158 0.000 1.102 179 M CB -1.459 31.114 32.600 -0.045 0.000 1.336 179 M HN 0.244 nan 8.290 nan 0.000 0.404 180 L N -1.012 120.125 121.223 -0.143 0.000 2.109 180 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 180 L C 2.438 179.199 176.870 -0.181 0.000 1.086 180 L CA 0.994 55.755 54.840 -0.131 0.000 0.760 180 L CB -0.808 41.208 42.059 -0.071 0.000 0.910 180 L HN 0.387 nan 8.230 nan 0.000 0.437 181 E N 0.941 121.019 120.200 -0.203 0.000 2.070 181 E HA -0.275 4.074 4.350 -0.001 0.000 0.197 181 E C 2.213 178.624 176.600 -0.315 0.000 1.004 181 E CA 1.578 57.853 56.400 -0.209 0.000 0.805 181 E CB 0.025 29.651 29.700 -0.123 0.000 0.744 181 E HN 0.436 nan 8.360 nan 0.000 0.451 182 A N 0.968 123.435 122.820 -0.588 0.000 1.858 182 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 182 A C 2.262 179.674 177.584 -0.286 0.000 1.190 182 A CA 1.307 53.021 52.037 -0.537 0.000 0.617 182 A CB -0.783 17.725 19.000 -0.821 0.000 0.827 182 A HN 0.326 nan 8.150 nan 0.000 0.443 183 L N -0.727 120.344 121.223 -0.254 0.000 2.012 183 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 183 L C 3.089 179.870 176.870 -0.148 0.000 1.073 183 L CA 1.199 55.938 54.840 -0.168 0.000 0.748 183 L CB -0.460 41.514 42.059 -0.141 0.000 0.891 183 L HN 0.449 nan 8.230 nan 0.000 0.431 184 A N -0.289 122.436 122.820 -0.159 0.000 1.972 184 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 184 A C 2.498 180.010 177.584 -0.121 0.000 1.169 184 A CA 1.744 53.692 52.037 -0.149 0.000 0.635 184 A CB -0.682 18.225 19.000 -0.155 0.000 0.810 184 A HN 0.537 nan 8.150 nan 0.000 0.446 185 S N 0.207 115.838 115.700 -0.116 0.000 2.419 185 S HA -0.174 4.296 4.470 -0.001 0.000 0.233 185 S C 1.781 176.344 174.600 -0.062 0.000 1.016 185 S CA 1.974 60.126 58.200 -0.079 0.000 0.974 185 S CB -1.372 61.784 63.200 -0.073 0.000 0.786 185 S HN 0.822 nan 8.310 nan 0.000 0.492 186 T N -0.655 113.856 114.554 -0.071 0.000 3.160 186 T HA 0.057 4.407 4.350 -0.001 0.000 0.257 186 T C 1.502 176.177 174.700 -0.042 0.000 1.147 186 T CA 0.993 63.064 62.100 -0.048 0.000 1.064 186 T CB -0.650 68.190 68.868 -0.046 0.000 0.949 186 T HN 0.655 nan 8.240 nan 0.000 0.526 187 T N -1.878 112.640 114.554 -0.059 0.000 3.069 187 T HA 0.347 4.697 4.350 -0.001 0.000 0.252 187 T C 0.402 175.076 174.700 -0.043 0.000 1.053 187 T CA -0.563 61.504 62.100 -0.055 0.000 0.964 187 T CB -0.019 68.796 68.868 -0.090 0.000 1.005 187 T HN 0.337 nan 8.240 nan 0.000 0.532 188 K N 1.440 121.817 120.400 -0.038 0.000 2.156 188 K HA 0.449 4.769 4.320 -0.001 0.000 0.250 188 K C -1.255 175.337 176.600 -0.013 0.000 0.955 188 K CA -0.885 55.386 56.287 -0.027 0.000 0.855 188 K CB 1.307 33.790 32.500 -0.028 0.000 1.101 188 K HN -0.072 nan 8.250 nan 0.000 0.434 189 D N 3.058 123.454 120.400 -0.007 0.000 2.441 189 D HA 0.205 4.845 4.640 -0.001 0.000 0.221 189 D C -0.937 175.365 176.300 0.003 0.000 1.156 189 D CA -0.167 53.832 54.000 -0.001 0.000 0.896 189 D CB -0.009 40.791 40.800 0.000 0.000 1.028 189 D HN 0.303 nan 8.370 nan 0.000 0.509 190 L N 1.785 123.012 121.223 0.006 0.000 2.330 190 L HA 0.443 4.783 4.340 -0.001 0.000 0.271 190 L C 0.957 177.836 176.870 0.014 0.000 1.013 190 L CA -1.153 53.694 54.840 0.011 0.000 0.816 190 L CB 1.774 43.841 42.059 0.012 0.000 1.287 190 L HN 0.302 nan 8.230 nan 0.000 0.435 191 S N 0.338 116.048 115.700 0.017 0.000 2.600 191 S HA 0.153 4.623 4.470 -0.001 0.000 0.265 191 S C 1.079 175.693 174.600 0.023 0.000 1.325 191 S CA -0.780 57.430 58.200 0.018 0.000 1.002 191 S CB 1.339 64.550 63.200 0.018 0.000 0.921 191 S HN 0.342 nan 8.310 nan 0.000 0.554 192 V N 1.351 121.279 119.914 0.022 0.000 2.332 192 V HA -0.161 3.958 4.120 -0.001 0.000 0.248 192 V C 2.291 178.404 176.094 0.032 0.000 1.055 192 V CA 2.298 64.614 62.300 0.027 0.000 1.038 192 V CB -1.092 30.745 31.823 0.023 0.000 0.651 192 V HN 0.853 nan 8.190 nan 0.000 0.450 193 D N -0.100 120.316 120.400 0.027 0.000 2.123 193 D HA -0.174 4.466 4.640 -0.001 0.000 0.196 193 D C 2.262 178.586 176.300 0.040 0.000 0.992 193 D CA 1.437 55.456 54.000 0.031 0.000 0.833 193 D CB -0.183 40.631 40.800 0.024 0.000 0.954 193 D HN 0.569 nan 8.370 nan 0.000 0.455 194 E N -0.236 119.986 120.200 0.037 0.000 2.077 194 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 194 E C 2.256 178.886 176.600 0.050 0.000 0.989 194 E CA 0.720 57.145 56.400 0.042 0.000 0.800 194 E CB -0.071 29.649 29.700 0.033 0.000 0.746 194 E HN 0.295 nan 8.360 nan 0.000 0.452 195 M N 0.260 119.886 119.600 0.044 0.000 2.132 195 M HA -0.142 4.338 4.480 -0.001 0.000 0.263 195 M C 2.394 178.733 176.300 0.064 0.000 1.065 195 M CA 1.018 56.346 55.300 0.048 0.000 1.122 195 M CB -0.049 32.575 32.600 0.040 0.000 1.365 195 M HN 0.017 nan 8.290 nan 0.000 0.411 196 V N 0.323 120.277 119.914 0.066 0.000 2.427 196 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 196 V C 2.613 178.767 176.094 0.100 0.000 1.051 196 V CA 1.882 64.232 62.300 0.084 0.000 1.048 196 V CB -1.089 30.782 31.823 0.079 0.000 0.666 196 V HN 0.500 nan 8.190 nan 0.000 0.456 197 A N -0.335 122.539 122.820 0.090 0.000 1.933 197 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 197 A C 2.214 179.870 177.584 0.120 0.000 1.175 197 A CA 1.684 53.782 52.037 0.101 0.000 0.628 197 A CB -0.503 18.546 19.000 0.083 0.000 0.814 197 A HN 0.500 nan 8.150 nan 0.000 0.444 198 L N -0.667 120.631 121.223 0.125 0.000 2.083 198 L HA -0.158 4.182 4.340 -0.001 0.000 0.209 198 L C 2.515 179.505 176.870 0.200 0.000 1.083 198 L CA 0.995 55.943 54.840 0.181 0.000 0.752 198 L CB -0.403 41.736 42.059 0.133 0.000 0.899 198 L HN 0.253 nan 8.230 nan 0.000 0.433 199 V N -0.691 119.305 119.914 0.135 0.000 2.343 199 V HA -0.292 3.827 4.120 -0.001 0.000 0.247 199 V C 2.520 178.673 176.094 0.099 0.000 1.051 199 V CA 1.424 63.791 62.300 0.111 0.000 1.036 199 V CB -0.384 31.489 31.823 0.084 0.000 0.654 199 V HN 0.369 nan 8.190 nan 0.000 0.451 200 M N -0.307 119.365 119.600 0.121 0.000 2.175 200 M HA -0.126 4.353 4.480 -0.001 0.000 0.264 200 M C 2.146 178.517 176.300 0.118 0.000 1.063 200 M CA 1.578 56.970 55.300 0.154 0.000 1.119 200 M CB -1.210 31.510 32.600 0.201 0.000 1.377 200 M HN 0.312 nan 8.290 nan 0.000 0.415 201 K N 0.312 120.741 120.400 0.048 0.000 2.097 201 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 201 K C 1.952 178.287 176.600 -0.442 0.000 1.049 201 K CA 1.449 57.641 56.287 -0.158 0.000 0.933 201 K CB -0.001 32.439 32.500 -0.100 0.000 0.717 201 K HN 0.223 nan 8.250 nan 0.000 0.442 202 A N 0.721 123.435 122.820 -0.177 0.000 1.902 202 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 202 A C 2.346 179.823 177.584 -0.179 0.000 1.181 202 A CA 1.869 53.839 52.037 -0.111 0.000 0.623 202 A CB -1.234 17.900 19.000 0.223 0.000 0.818 202 A HN 0.546 nan 8.150 nan 0.000 0.443 203 G N -0.528 108.195 108.800 -0.128 0.000 2.440 203 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.218 203 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.218 203 G C 1.524 176.171 174.900 -0.421 0.000 1.154 203 G CA 1.275 46.294 45.100 -0.135 0.000 0.767 203 G HN 0.720 nan 8.290 nan 0.000 0.552 204 G N 0.399 108.678 108.800 -0.868 0.000 2.422 204 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.218 204 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.218 204 G C 1.780 176.224 174.900 -0.759 0.000 1.146 204 G CA 1.057 45.195 45.100 -1.604 0.000 0.769 204 G HN 0.281 nan 8.290 nan 0.000 0.547 205 M N 1.119 120.373 119.600 -0.577 0.000 2.319 205 M HA 0.193 4.673 4.480 -0.001 0.000 0.265 205 M C 2.891 179.062 176.300 -0.214 0.000 1.068 205 M CA 0.721 55.785 55.300 -0.393 0.000 1.118 205 M CB -1.115 31.187 32.600 -0.496 0.000 1.395 205 M HN 0.302 nan 8.290 nan 0.000 0.435 206 A N -0.030 122.683 122.820 -0.179 0.000 1.930 206 A HA -0.060 4.260 4.320 -0.001 0.000 0.217 206 A C 2.458 180.016 177.584 -0.043 0.000 1.175 206 A CA 1.525 53.534 52.037 -0.047 0.000 0.627 206 A CB -0.880 18.119 19.000 -0.003 0.000 0.815 206 A HN 0.270 nan 8.150 nan 0.000 0.443 207 V N -0.305 119.540 119.914 -0.116 0.000 2.261 207 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 207 V C 2.752 178.803 176.094 -0.070 0.000 1.047 207 V CA 2.549 64.831 62.300 -0.031 0.000 1.015 207 V CB -1.353 30.443 31.823 -0.045 0.000 0.642 207 V HN 0.594 nan 8.190 nan 0.000 0.446 208 T N -0.321 114.153 114.554 -0.134 0.000 2.665 208 T HA -0.224 4.125 4.350 -0.001 0.000 0.268 208 T C 1.925 176.555 174.700 -0.116 0.000 1.035 208 T CA 2.298 64.329 62.100 -0.115 0.000 1.151 208 T CB -0.393 68.400 68.868 -0.125 0.000 0.862 208 T HN 0.577 nan 8.240 nan 0.000 0.438 209 T N 1.730 116.232 114.554 -0.086 0.000 2.857 209 T HA 0.111 4.460 4.350 -0.001 0.000 0.266 209 T C 2.068 176.704 174.700 -0.107 0.000 1.048 209 T CA 0.874 62.948 62.100 -0.044 0.000 1.139 209 T CB -0.271 68.617 68.868 0.034 0.000 0.874 209 T HN 0.303 nan 8.240 nan 0.000 0.455 210 M N 1.085 120.594 119.600 -0.151 0.000 2.159 210 M HA -0.004 4.476 4.480 -0.001 0.000 0.263 210 M C 2.786 178.697 176.300 -0.648 0.000 1.063 210 M CA 1.422 56.536 55.300 -0.310 0.000 1.110 210 M CB -0.423 32.090 32.600 -0.145 0.000 1.374 210 M HN 0.293 nan 8.290 nan 0.000 0.411 211 A N 0.264 122.595 122.820 -0.815 0.000 1.902 211 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 211 A C 2.099 179.397 177.584 -0.477 0.000 1.181 211 A CA 1.416 52.842 52.037 -1.018 0.000 0.623 211 A CB -0.795 17.884 19.000 -0.536 0.000 0.818 211 A HN 0.427 nan 8.150 nan 0.000 0.443 212 L N -0.909 120.147 121.223 -0.279 0.000 2.046 212 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 212 L C 2.234 178.977 176.870 -0.212 0.000 1.077 212 L CA 1.858 56.603 54.840 -0.157 0.000 0.747 212 L CB -0.522 41.511 42.059 -0.042 0.000 0.896 212 L HN 0.366 nan 8.230 nan 0.000 0.432 213 L N -0.455 120.652 121.223 -0.193 0.000 2.093 213 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 213 L C 2.242 179.007 176.870 -0.174 0.000 1.085 213 L CA 2.044 56.793 54.840 -0.151 0.000 0.755 213 L CB -1.093 40.906 42.059 -0.101 0.000 0.904 213 L HN 0.518 nan 8.230 nan 0.000 0.435 214 D N -0.640 119.637 120.400 -0.205 0.000 2.123 214 D HA -0.295 4.344 4.640 -0.001 0.000 0.196 214 D C 1.904 178.152 176.300 -0.087 0.000 0.992 214 D CA 1.520 55.475 54.000 -0.074 0.000 0.833 214 D CB 0.106 40.873 40.800 -0.055 0.000 0.954 214 D HN 0.649 nan 8.370 nan 0.000 0.455 215 E N 0.129 120.209 120.200 -0.200 0.000 2.058 215 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 215 E C 2.079 178.354 176.600 -0.542 0.000 0.997 215 E CA 1.176 57.419 56.400 -0.261 0.000 0.801 215 E CB -0.118 29.440 29.700 -0.236 0.000 0.746 215 E HN 0.299 nan 8.360 nan 0.000 0.450 216 A N 1.277 123.610 122.820 -0.812 0.000 1.877 216 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 216 A C 2.002 179.334 177.584 -0.419 0.000 1.186 216 A CA 1.668 53.057 52.037 -1.079 0.000 0.620 216 A CB -0.655 17.911 19.000 -0.724 0.000 0.822 216 A HN 0.273 nan 8.150 nan 0.000 0.443 217 N N -0.186 118.405 118.700 -0.183 0.000 2.120 217 N HA -0.128 4.612 4.740 -0.001 0.000 0.188 217 N C 2.013 177.553 175.510 0.050 0.000 1.024 217 N CA 2.293 55.343 53.050 -0.000 0.000 0.852 217 N CB -0.739 37.818 38.487 0.116 0.000 1.003 217 N HN 0.718 nan 8.380 nan 0.000 0.424 218 T N -2.659 111.930 114.554 0.058 0.000 2.896 218 T HA 0.013 4.362 4.350 -0.001 0.000 0.263 218 T C 1.960 176.644 174.700 -0.026 0.000 1.050 218 T CA 1.236 63.391 62.100 0.091 0.000 1.140 218 T CB -0.700 68.200 68.868 0.053 0.000 0.877 218 T HN -0.005 nan 8.240 nan 0.000 0.457 219 T N 2.162 116.657 114.554 -0.097 0.000 2.788 219 T HA -0.077 4.272 4.350 -0.001 0.000 0.268 219 T C 2.129 176.756 174.700 -0.120 0.000 1.044 219 T CA 1.931 63.989 62.100 -0.071 0.000 1.139 219 T CB -0.728 68.138 68.868 -0.003 0.000 0.867 219 T HN 0.538 nan 8.240 nan 0.000 0.454 220 T N 0.293 114.684 114.554 -0.270 0.000 2.894 220 T HA 0.027 4.377 4.350 -0.001 0.000 0.258 220 T C 0.964 175.268 174.700 -0.658 0.000 1.043 220 T CA 0.856 62.625 62.100 -0.553 0.000 1.141 220 T CB -0.155 68.162 68.868 -0.917 0.000 0.873 220 T HN 0.432 nan 8.240 nan 0.000 0.449 221 Y N 0.713 120.953 120.300 -0.101 0.000 2.500 221 Y HA 0.515 5.064 4.550 -0.001 0.000 0.246 221 Y C 1.298 177.182 175.900 -0.027 0.000 1.146 221 Y CA -0.600 57.367 58.100 -0.221 0.000 1.230 221 Y CB 0.218 38.294 38.460 -0.640 0.000 1.214 221 Y HN 0.339 nan 8.280 nan 0.000 0.526 222 G N 0.987 109.852 108.800 0.107 0.000 2.707 222 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.686 222 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.686 222 G C -0.822 174.121 174.900 0.070 0.000 1.315 222 G CA -1.003 44.135 45.100 0.063 0.000 0.832 222 G HN 0.314 nan 8.290 nan 0.000 0.573 223 N N 1.959 120.610 118.700 -0.081 0.000 2.497 223 N HA 0.475 5.214 4.740 -0.001 0.000 0.268 223 N C -2.265 173.106 175.510 -0.231 0.000 1.171 223 N CA -0.695 52.257 53.050 -0.164 0.000 0.948 223 N CB 0.816 39.166 38.487 -0.229 0.000 1.069 223 N HN 0.411 nan 8.380 nan 0.000 0.460 224 P HA -0.054 nan 4.420 nan 0.000 0.265 224 P C -0.804 176.338 177.300 -0.263 0.000 1.187 224 P CA 0.381 63.228 63.100 -0.421 0.000 0.766 224 P CB 0.473 31.925 31.700 -0.415 0.000 0.820 225 E N 1.796 121.848 120.200 -0.246 0.000 2.416 225 E HA 0.465 4.814 4.350 -0.001 0.000 0.273 225 E C -0.746 175.629 176.600 -0.375 0.000 0.935 225 E CA -1.051 55.190 56.400 -0.264 0.000 0.784 225 E CB 1.073 30.682 29.700 -0.151 0.000 1.301 225 E HN 0.165 nan 8.360 nan 0.000 0.454 226 I N 1.646 121.944 120.570 -0.453 0.000 2.668 226 I HA 0.063 4.233 4.170 -0.001 0.000 0.285 226 I C -0.392 175.560 176.117 -0.274 0.000 1.168 226 I CA 0.828 61.815 61.300 -0.522 0.000 1.424 226 I CB 0.233 37.956 38.000 -0.462 0.000 1.377 226 I HN 0.472 nan 8.210 nan 0.000 0.560 227 T N 5.893 120.302 114.554 -0.242 0.000 2.952 227 T HA 0.231 4.581 4.350 -0.001 0.000 0.305 227 T C -0.687 173.999 174.700 -0.023 0.000 1.064 227 T CA -0.671 61.383 62.100 -0.077 0.000 1.008 227 T CB 1.847 70.754 68.868 0.064 0.000 1.078 227 T HN 0.543 nan 8.240 nan 0.000 0.459 228 Q N 2.685 122.483 119.800 -0.004 0.000 2.331 228 Q HA 0.570 4.909 4.340 -0.001 0.000 0.257 228 Q C -1.244 174.766 176.000 0.018 0.000 0.957 228 Q CA -0.537 55.276 55.803 0.017 0.000 0.923 228 Q CB 0.709 29.451 28.738 0.006 0.000 1.212 228 Q HN 0.478 nan 8.270 nan 0.000 0.443 229 V N 4.505 124.448 119.914 0.047 0.000 2.394 229 V HA 0.196 4.315 4.120 -0.001 0.000 0.282 229 V C 0.131 176.240 176.094 0.025 0.000 1.031 229 V CA -0.970 61.343 62.300 0.023 0.000 0.881 229 V CB 1.341 33.205 31.823 0.069 0.000 0.982 229 V HN 0.751 nan 8.190 nan 0.000 0.451 230 N N 4.034 122.735 118.700 0.002 0.000 2.497 230 N HA 0.187 4.927 4.740 -0.001 0.000 0.268 230 N C 0.535 176.093 175.510 0.080 0.000 1.171 230 N CA -0.118 52.953 53.050 0.033 0.000 0.948 230 N CB 0.802 39.300 38.487 0.018 0.000 1.069 230 N HN 0.739 nan 8.380 nan 0.000 0.460 231 I N -0.139 120.487 120.570 0.094 0.000 4.025 231 I HA 0.508 4.677 4.170 -0.001 0.000 0.336 231 I C 0.850 177.054 176.117 0.144 0.000 1.390 231 I CA -0.671 60.704 61.300 0.125 0.000 1.099 231 I CB 0.204 38.252 38.000 0.081 0.000 1.049 231 I HN 0.320 nan 8.210 nan 0.000 0.394 232 G N 1.776 110.661 108.800 0.142 0.000 2.525 232 G HA2 0.545 4.505 3.960 -0.001 0.000 0.287 232 G HA3 0.545 4.505 3.960 -0.001 0.000 0.287 232 G C -0.261 174.803 174.900 0.273 0.000 1.350 232 G CA 0.154 45.351 45.100 0.162 0.000 1.039 232 G HN 0.259 nan 8.290 nan 0.000 0.513 233 V N -3.021 117.042 119.914 0.248 0.000 3.046 233 V HA 0.974 5.094 4.120 -0.001 0.000 0.316 233 V C 0.520 176.742 176.094 0.214 0.000 1.104 233 V CA -0.118 62.378 62.300 0.327 0.000 1.006 233 V CB 1.360 33.324 31.823 0.235 0.000 1.058 233 V HN 1.144 nan 8.190 nan 0.000 0.440 234 G N 0.459 109.408 108.800 0.248 0.000 2.671 234 G HA2 0.534 4.494 3.960 -0.001 0.000 0.275 234 G HA3 0.534 4.494 3.960 -0.001 0.000 0.275 234 G C -0.077 174.881 174.900 0.096 0.000 1.368 234 G CA -0.736 44.447 45.100 0.138 0.000 1.044 234 G HN 0.790 nan 8.290 nan 0.000 0.543 235 K N 0.046 120.481 120.400 0.059 0.000 2.387 235 K HA 0.161 4.481 4.320 -0.001 0.000 0.203 235 K C -0.182 176.426 176.600 0.013 0.000 1.030 235 K CA -0.298 56.003 56.287 0.024 0.000 1.099 235 K CB 0.315 32.826 32.500 0.017 0.000 0.863 235 K HN 0.254 nan 8.250 nan 0.000 0.529 236 N N 2.247 120.968 118.700 0.036 0.000 2.508 236 N HA 0.243 4.983 4.740 -0.001 0.000 0.285 236 N C -2.581 172.929 175.510 0.001 0.000 1.144 236 N CA -1.696 51.369 53.050 0.025 0.000 0.978 236 N CB 0.653 39.170 38.487 0.049 0.000 1.180 236 N HN -0.049 nan 8.380 nan 0.000 0.484 237 P HA 0.157 nan 4.420 nan 0.000 0.269 237 P C -0.177 177.116 177.300 -0.011 0.000 1.215 237 P CA -0.121 62.932 63.100 -0.078 0.000 0.780 237 P CB 0.594 32.260 31.700 -0.057 0.000 0.898 238 G N 0.905 109.666 108.800 -0.065 0.000 2.680 238 G HA2 0.687 4.647 3.960 -0.001 0.000 0.290 238 G HA3 0.687 4.647 3.960 -0.001 0.000 0.290 238 G C -1.445 173.616 174.900 0.270 0.000 1.355 238 G CA -0.828 44.382 45.100 0.183 0.000 0.903 238 G HN 0.398 nan 8.290 nan 0.000 0.474 239 I N 0.268 121.013 120.570 0.292 0.000 2.433 239 I HA 0.349 4.518 4.170 -0.001 0.000 0.292 239 I C -0.997 175.078 176.117 -0.071 0.000 1.001 239 I CA -0.805 60.551 61.300 0.094 0.000 1.119 239 I CB 2.179 40.111 38.000 -0.114 0.000 1.289 239 I HN 0.226 nan 8.210 nan 0.000 0.438 240 L N 7.843 128.762 121.223 -0.506 0.000 2.265 240 L HA 0.555 4.894 4.340 -0.001 0.000 0.289 240 L C -0.731 175.824 176.870 -0.526 0.000 1.033 240 L CA -0.105 54.242 54.840 -0.822 0.000 0.814 240 L CB 1.131 42.206 42.059 -1.640 0.000 1.203 240 L HN 0.493 nan 8.230 nan 0.000 0.423 241 I N 3.993 124.343 120.570 -0.367 0.000 2.377 241 I HA 0.531 4.701 4.170 -0.001 0.000 0.293 241 I C -0.349 175.669 176.117 -0.165 0.000 0.987 241 I CA 0.151 61.265 61.300 -0.309 0.000 1.185 241 I CB 1.478 39.255 38.000 -0.372 0.000 1.341 241 I HN 0.706 nan 8.210 nan 0.000 0.455 242 S N 4.100 119.742 115.700 -0.096 0.000 2.709 242 S HA 0.972 5.442 4.470 -0.001 0.000 0.302 242 S C -0.064 174.588 174.600 0.087 0.000 1.127 242 S CA 0.355 58.611 58.200 0.093 0.000 0.905 242 S CB 1.489 64.837 63.200 0.246 0.000 1.151 242 S HN 1.283 nan 8.310 nan 0.000 0.510 243 G N 1.546 110.433 108.800 0.144 0.000 2.481 243 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.230 243 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.230 243 G C -0.238 174.677 174.900 0.024 0.000 1.210 243 G CA 0.610 45.836 45.100 0.210 0.000 0.936 243 G HN 0.879 nan 8.290 nan 0.000 0.583 244 H N 0.113 119.245 119.070 0.104 0.000 3.622 244 H HA 0.311 4.867 4.556 -0.001 0.000 0.259 244 H C 0.300 175.536 175.328 -0.154 0.000 1.145 244 H CA 0.235 56.276 56.048 -0.011 0.000 1.178 244 H CB 0.718 30.464 29.762 -0.026 0.000 1.542 244 H HN 0.428 nan 8.280 nan 0.000 0.586 245 D N 1.811 122.251 120.400 0.065 0.000 2.336 245 D HA 0.025 4.664 4.640 -0.001 0.000 0.249 245 D C 1.020 177.316 176.300 -0.006 0.000 1.213 245 D CA 0.016 54.054 54.000 0.063 0.000 0.870 245 D CB 0.966 41.939 40.800 0.287 0.000 1.076 245 D HN 0.301 nan 8.370 nan 0.000 0.483 246 L N 3.764 124.979 121.223 -0.013 0.000 2.313 246 L HA -0.068 4.272 4.340 -0.001 0.000 0.214 246 L C 2.473 179.301 176.870 -0.070 0.000 1.119 246 L CA 0.534 55.312 54.840 -0.102 0.000 0.809 246 L CB -0.150 41.853 42.059 -0.093 0.000 0.933 246 L HN 0.370 nan 8.230 nan 0.000 0.449 247 K N 0.373 120.868 120.400 0.157 0.000 2.097 247 K HA -0.169 4.151 4.320 -0.001 0.000 0.205 247 K C 1.579 178.244 176.600 0.108 0.000 1.050 247 K CA 1.364 57.788 56.287 0.229 0.000 0.938 247 K CB 0.135 32.800 32.500 0.276 0.000 0.718 247 K HN 0.180 nan 8.250 nan 0.000 0.442 248 D N 0.658 121.107 120.400 0.081 0.000 2.123 248 D HA -0.201 4.439 4.640 -0.001 0.000 0.196 248 D C 1.771 177.979 176.300 -0.154 0.000 0.992 248 D CA 1.198 55.249 54.000 0.084 0.000 0.833 248 D CB -0.138 40.706 40.800 0.074 0.000 0.954 248 D HN 0.200 nan 8.370 nan 0.000 0.455 249 M N 1.206 120.607 119.600 -0.331 0.000 2.080 249 M HA -0.095 4.384 4.480 -0.001 0.000 0.260 249 M C 1.949 177.837 176.300 -0.687 0.000 1.068 249 M CA 1.610 56.519 55.300 -0.651 0.000 1.109 249 M CB -0.559 31.497 32.600 -0.907 0.000 1.342 249 M HN -0.024 nan 8.290 nan 0.000 0.405 250 A N -0.330 122.206 122.820 -0.472 0.000 1.883 250 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 250 A C 2.075 179.622 177.584 -0.061 0.000 1.186 250 A CA 2.191 54.153 52.037 -0.126 0.000 0.624 250 A CB -0.973 18.176 19.000 0.249 0.000 0.822 250 A HN 0.709 nan 8.150 nan 0.000 0.444 251 E N -0.967 119.243 120.200 0.016 0.000 2.107 251 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 251 E C 1.949 178.593 176.600 0.074 0.000 0.982 251 E CA 0.994 57.464 56.400 0.116 0.000 0.809 251 E CB -0.217 29.630 29.700 0.245 0.000 0.756 251 E HN 0.491 nan 8.360 nan 0.000 0.459 252 L N 1.039 122.182 121.223 -0.132 0.000 2.046 252 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 252 L C 2.007 178.691 176.870 -0.311 0.000 1.077 252 L CA 1.489 56.112 54.840 -0.363 0.000 0.747 252 L CB -0.245 41.373 42.059 -0.734 0.000 0.896 252 L HN 0.108 nan 8.230 nan 0.000 0.432 253 L N -0.815 120.136 121.223 -0.452 0.000 2.046 253 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 253 L C 2.587 179.217 176.870 -0.401 0.000 1.077 253 L CA 1.496 55.975 54.840 -0.601 0.000 0.747 253 L CB -0.523 40.873 42.059 -1.104 0.000 0.896 253 L HN 0.224 nan 8.230 nan 0.000 0.432 254 K N -0.337 119.928 120.400 -0.225 0.000 2.057 254 K HA -0.210 4.109 4.320 -0.001 0.000 0.207 254 K C 2.118 178.729 176.600 0.019 0.000 1.049 254 K CA 1.414 57.710 56.287 0.015 0.000 0.931 254 K CB -0.115 32.444 32.500 0.097 0.000 0.714 254 K HN 0.391 nan 8.250 nan 0.000 0.440 255 Q N -0.328 119.474 119.800 0.004 0.000 2.311 255 Q HA -0.060 4.279 4.340 -0.001 0.000 0.203 255 Q C 1.713 177.701 176.000 -0.020 0.000 0.954 255 Q CA 1.507 57.321 55.803 0.019 0.000 0.885 255 Q CB 0.277 29.062 28.738 0.079 0.000 0.963 255 Q HN 0.440 nan 8.270 nan 0.000 0.471 256 T N -2.514 112.014 114.554 -0.043 0.000 3.065 256 T HA 0.042 4.391 4.350 -0.001 0.000 0.252 256 T C 0.589 175.121 174.700 -0.280 0.000 1.099 256 T CA -0.253 61.803 62.100 -0.074 0.000 1.063 256 T CB 0.125 69.008 68.868 0.024 0.000 0.948 256 T HN 0.110 nan 8.240 nan 0.000 0.506 257 E N 1.291 121.316 120.200 -0.291 0.000 2.480 257 E HA 0.329 4.678 4.350 -0.001 0.000 0.258 257 E C 1.202 177.654 176.600 -0.246 0.000 0.984 257 E CA 0.758 56.900 56.400 -0.430 0.000 0.930 257 E CB -0.408 29.294 29.700 0.003 0.000 0.936 257 E HN 0.528 nan 8.360 nan 0.000 0.466 258 G N 3.129 111.769 108.800 -0.266 0.000 2.148 258 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.254 258 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.254 258 G C 0.751 175.592 174.900 -0.097 0.000 0.981 258 G CA 0.792 45.818 45.100 -0.123 0.000 0.670 258 G HN 0.710 nan 8.290 nan 0.000 0.528 259 T N -2.950 111.529 114.554 -0.125 0.000 3.044 259 T HA 0.447 4.797 4.350 -0.001 0.000 0.250 259 T C 2.362 177.032 174.700 -0.050 0.000 1.081 259 T CA 1.566 63.623 62.100 -0.073 0.000 1.040 259 T CB 0.469 69.297 68.868 -0.068 0.000 0.962 259 T HN 2.137 nan 8.240 nan 0.000 0.506 260 G N 0.791 109.560 108.800 -0.052 0.000 2.159 260 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.256 260 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.256 260 G C -0.002 174.900 174.900 0.003 0.000 0.977 260 G CA 0.016 45.105 45.100 -0.018 0.000 0.652 260 G HN 0.738 nan 8.290 nan 0.000 0.531 261 V N 1.625 121.540 119.914 0.003 0.000 2.370 261 V HA 0.477 4.596 4.120 -0.001 0.000 0.283 261 V C -0.030 176.133 176.094 0.116 0.000 1.023 261 V CA -1.039 61.285 62.300 0.040 0.000 0.857 261 V CB 1.652 33.483 31.823 0.014 0.000 0.985 261 V HN 0.226 nan 8.190 nan 0.000 0.443 262 D N 2.759 123.246 120.400 0.144 0.000 2.329 262 D HA 0.461 5.101 4.640 -0.001 0.000 0.246 262 D C -0.330 176.050 176.300 0.134 0.000 1.111 262 D CA -0.060 54.032 54.000 0.153 0.000 0.941 262 D CB 2.106 42.961 40.800 0.092 0.000 1.169 262 D HN 0.255 nan 8.370 nan 0.000 0.441 263 V N 1.828 121.722 119.914 -0.033 0.000 2.495 263 V HA 0.352 4.471 4.120 -0.001 0.000 0.298 263 V C -0.870 175.178 176.094 -0.078 0.000 1.031 263 V CA -0.638 61.601 62.300 -0.103 0.000 0.871 263 V CB 0.901 32.480 31.823 -0.407 0.000 0.988 263 V HN 0.398 nan 8.190 nan 0.000 0.432 264 Y N 1.537 121.819 120.300 -0.029 0.000 2.485 264 Y HA 0.608 5.157 4.550 -0.001 0.000 0.345 264 Y C 0.779 176.634 175.900 -0.074 0.000 0.998 264 Y CA -0.895 57.241 58.100 0.061 0.000 1.059 264 Y CB 2.325 40.853 38.460 0.112 0.000 1.234 264 Y HN 0.701 nan 8.280 nan 0.000 0.461 265 T N -1.278 113.407 114.554 0.217 0.000 2.927 265 T HA 0.371 4.721 4.350 -0.001 0.000 0.281 265 T C -0.995 173.811 174.700 0.176 0.000 0.998 265 T CA -0.610 61.550 62.100 0.100 0.000 1.019 265 T CB 1.650 70.588 68.868 0.116 0.000 1.061 265 T HN 0.776 nan 8.240 nan 0.000 0.518 266 H N -0.701 118.373 119.070 0.007 0.000 2.894 266 H HA 0.488 5.044 4.556 -0.001 0.000 0.367 266 H C 0.798 176.149 175.328 0.039 0.000 1.144 266 H CA 0.408 56.478 56.048 0.037 0.000 1.180 266 H CB 1.358 31.145 29.762 0.043 0.000 1.758 266 H HN 1.146 nan 8.280 nan 0.000 0.541 267 G N 4.347 112.771 108.800 -0.627 0.000 2.565 267 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.295 267 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.295 267 G C 0.709 175.607 174.900 -0.004 0.000 1.165 267 G CA 0.528 45.355 45.100 -0.455 0.000 0.977 267 G HN 0.635 nan 8.290 nan 0.000 0.546 268 E N 0.661 120.821 120.200 -0.066 0.000 2.502 268 E HA 0.111 4.460 4.350 -0.001 0.000 0.194 268 E C 2.317 178.814 176.600 -0.171 0.000 1.062 268 E CA 0.294 56.589 56.400 -0.175 0.000 0.867 268 E CB -0.061 29.255 29.700 -0.639 0.000 0.888 268 E HN 0.430 nan 8.360 nan 0.000 0.510 269 M N -0.053 119.494 119.600 -0.089 0.000 2.556 269 M HA 0.005 4.485 4.480 -0.001 0.000 0.245 269 M C 1.967 178.243 176.300 -0.040 0.000 1.128 269 M CA 0.145 55.401 55.300 -0.073 0.000 1.069 269 M CB -0.686 31.863 32.600 -0.086 0.000 1.469 269 M HN 0.113 nan 8.290 nan 0.000 0.494 270 L N 2.465 123.677 121.223 -0.019 0.000 2.021 270 L HA -0.119 4.220 4.340 -0.001 0.000 0.215 270 L C -0.968 175.716 176.870 -0.310 0.000 1.074 270 L CA 2.465 57.266 54.840 -0.065 0.000 0.760 270 L CB -1.925 40.129 42.059 -0.009 0.000 0.889 270 L HN 0.108 nan 8.230 nan 0.000 0.433 271 P HA -0.065 nan 4.420 nan 0.000 0.228 271 P C 1.428 178.663 177.300 -0.108 0.000 1.151 271 P CA 1.403 64.181 63.100 -0.535 0.000 0.770 271 P CB -0.259 31.431 31.700 -0.017 0.000 0.786 272 A N 0.089 122.960 122.820 0.086 0.000 2.024 272 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 272 A C 2.092 179.987 177.584 0.519 0.000 1.164 272 A CA 1.416 53.671 52.037 0.363 0.000 0.643 272 A CB -1.320 17.709 19.000 0.047 0.000 0.806 272 A HN 0.196 nan 8.150 nan 0.000 0.451 273 N N -1.033 117.790 118.700 0.205 0.000 2.364 273 N HA -0.160 4.579 4.740 -0.001 0.000 0.183 273 N C 0.751 176.362 175.510 0.167 0.000 1.022 273 N CA 1.367 54.444 53.050 0.044 0.000 0.883 273 N CB -0.244 38.146 38.487 -0.161 0.000 0.965 273 N HN 0.650 nan 8.380 nan 0.000 0.438 274 Y N -0.704 119.689 120.300 0.155 0.000 2.500 274 Y HA 0.151 4.701 4.550 -0.001 0.000 0.270 274 Y C 0.227 176.076 175.900 -0.085 0.000 1.134 274 Y CA -0.683 57.399 58.100 -0.031 0.000 1.293 274 Y CB -0.736 37.636 38.460 -0.146 0.000 1.063 274 Y HN -0.054 nan 8.280 nan 0.000 0.534 275 Y N 2.270 122.679 120.300 0.182 0.000 2.313 275 Y HA 0.233 4.783 4.550 -0.001 0.000 0.332 275 Y C -1.262 174.634 175.900 -0.007 0.000 1.071 275 Y CA -2.623 55.498 58.100 0.034 0.000 1.169 275 Y CB 0.890 39.273 38.460 -0.129 0.000 1.192 275 Y HN -0.130 nan 8.280 nan 0.000 0.487 276 P HA -0.241 nan 4.420 nan 0.000 0.218 276 P C 1.171 178.503 177.300 0.053 0.000 1.148 276 P CA 1.909 65.044 63.100 0.057 0.000 0.822 276 P CB 0.120 31.830 31.700 0.017 0.000 0.784 277 A N -1.043 121.768 122.820 -0.015 0.000 2.024 277 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 277 A C 1.762 179.445 177.584 0.164 0.000 1.164 277 A CA 1.507 53.528 52.037 -0.027 0.000 0.643 277 A CB -1.425 17.516 19.000 -0.097 0.000 0.806 277 A HN 0.094 nan 8.150 nan 0.000 0.451 278 F N -0.706 119.416 119.950 0.288 0.000 2.582 278 F HA 0.204 4.730 4.527 -0.001 0.000 0.290 278 F C 1.947 178.009 175.800 0.437 0.000 1.115 278 F CA 0.395 58.633 58.000 0.398 0.000 1.445 278 F CB -0.447 38.744 39.000 0.319 0.000 1.126 278 F HN 0.089 nan 8.300 nan 0.000 0.574 279 K N 1.136 121.772 120.400 0.392 0.000 2.362 279 K HA -0.153 4.167 4.320 -0.001 0.000 0.200 279 K C 1.871 178.552 176.600 0.136 0.000 1.046 279 K CA 1.043 57.446 56.287 0.192 0.000 0.952 279 K CB -0.173 32.384 32.500 0.096 0.000 0.753 279 K HN 0.328 nan 8.250 nan 0.000 0.466 280 K N -0.055 120.410 120.400 0.109 0.000 2.442 280 K HA -0.098 4.222 4.320 -0.001 0.000 0.198 280 K C -0.285 176.278 176.600 -0.061 0.000 1.042 280 K CA 0.745 57.013 56.287 -0.033 0.000 0.958 280 K CB -0.022 32.390 32.500 -0.148 0.000 0.766 280 K HN -0.007 nan 8.250 nan 0.000 0.474 281 Y N 1.972 122.372 120.300 0.168 0.000 2.383 281 Y HA 0.195 4.744 4.550 -0.001 0.000 0.344 281 Y C -1.563 174.423 175.900 0.144 0.000 0.986 281 Y CA -2.647 55.562 58.100 0.183 0.000 1.175 281 Y CB 1.350 39.898 38.460 0.146 0.000 1.152 281 Y HN 0.002 nan 8.280 nan 0.000 0.511 282 P HA -0.169 nan 4.420 nan 0.000 0.226 282 P C 0.870 178.284 177.300 0.191 0.000 1.153 282 P CA 1.532 64.742 63.100 0.184 0.000 0.777 282 P CB 0.133 31.918 31.700 0.142 0.000 0.794 283 H N -2.707 116.442 119.070 0.132 0.000 2.539 283 H HA 0.085 4.641 4.556 -0.001 0.000 0.267 283 H C -0.080 175.296 175.328 0.080 0.000 0.982 283 H CA -0.563 55.527 56.048 0.070 0.000 1.146 283 H CB -0.699 29.091 29.762 0.047 0.000 1.382 283 H HN -0.003 nan 8.280 nan 0.000 0.577 284 F N 2.937 122.639 119.950 -0.414 0.000 2.423 284 F HA 0.257 4.783 4.527 -0.001 0.000 0.356 284 F C 0.534 176.180 175.800 -0.256 0.000 1.170 284 F CA -1.039 56.734 58.000 -0.378 0.000 1.163 284 F CB 0.256 39.084 39.000 -0.288 0.000 1.318 284 F HN -0.125 nan 8.300 nan 0.000 0.569 285 V N 5.421 125.258 119.914 -0.128 0.000 2.407 285 V HA 0.217 4.336 4.120 -0.001 0.000 0.245 285 V C 1.460 177.398 176.094 -0.261 0.000 1.041 285 V CA 1.551 63.666 62.300 -0.308 0.000 1.040 285 V CB -0.865 30.540 31.823 -0.696 0.000 0.671 285 V HN 0.985 nan 8.190 nan 0.000 0.455 286 G N -0.848 107.835 108.800 -0.194 0.000 2.373 286 G HA2 0.037 3.997 3.960 -0.001 0.000 0.250 286 G HA3 0.037 3.997 3.960 -0.001 0.000 0.250 286 G C -1.453 173.560 174.900 0.188 0.000 1.304 286 G CA -0.210 44.851 45.100 -0.066 0.000 0.948 286 G HN 0.173 nan 8.290 nan 0.000 0.474 287 N N -0.462 118.375 118.700 0.227 0.000 2.321 287 N HA 0.546 5.286 4.740 -0.001 0.000 0.299 287 N C -1.831 173.895 175.510 0.359 0.000 1.048 287 N CA -0.385 52.835 53.050 0.283 0.000 0.836 287 N CB 2.155 40.751 38.487 0.182 0.000 1.269 287 N HN 0.505 nan 8.380 nan 0.000 0.486 288 Y N 3.149 123.584 120.300 0.226 0.000 2.328 288 Y HA 0.466 5.016 4.550 -0.001 0.000 0.337 288 Y C 0.619 176.591 175.900 0.119 0.000 0.966 288 Y CA 0.856 59.059 58.100 0.173 0.000 1.136 288 Y CB 0.712 39.249 38.460 0.129 0.000 1.170 288 Y HN 0.893 nan 8.280 nan 0.000 0.470 289 G N 3.053 111.667 108.800 -0.309 0.000 2.527 289 G HA2 0.111 4.071 3.960 -0.001 0.000 0.227 289 G HA3 0.111 4.071 3.960 -0.001 0.000 0.227 289 G C -0.030 174.707 174.900 -0.272 0.000 1.291 289 G CA -0.286 44.617 45.100 -0.329 0.000 0.904 289 G HN 1.310 nan 8.290 nan 0.000 0.577 290 G N -1.074 107.449 108.800 -0.461 0.000 3.211 290 G HA2 0.875 4.835 3.960 -0.001 0.000 0.167 290 G HA3 0.875 4.835 3.960 -0.001 0.000 0.167 290 G C 0.657 174.750 174.900 -1.345 0.000 1.212 290 G CA 1.110 45.724 45.100 -0.809 0.000 0.928 290 G HN 2.165 nan 8.290 nan 0.000 0.607 291 S N -0.378 114.532 115.700 -1.317 0.000 2.634 291 S HA 0.128 4.597 4.470 -0.001 0.000 0.261 291 S C 1.462 175.660 174.600 -0.670 0.000 1.271 291 S CA 0.290 57.916 58.200 -0.956 0.000 0.985 291 S CB 0.409 63.340 63.200 -0.449 0.000 0.968 291 S HN 0.970 nan 8.310 nan 0.000 0.568 292 W N 1.070 122.201 121.300 -0.282 0.000 2.308 292 W HA -0.168 4.491 4.660 -0.000 0.000 0.301 292 W C 1.708 178.137 176.519 -0.149 0.000 1.220 292 W CA 1.405 58.696 57.345 -0.090 0.000 1.240 292 W CB -1.317 28.182 29.460 0.065 0.000 1.142 292 W HN 0.918 nan 8.180 nan 0.000 0.521 293 W N 1.901 122.481 121.300 -1.200 0.000 2.699 293 W HA 0.059 4.718 4.660 -0.001 0.000 0.249 293 W C 1.063 177.256 176.519 -0.543 0.000 1.280 293 W CA 0.737 57.389 57.345 -1.154 0.000 1.345 293 W CB -1.388 27.085 29.460 -1.645 0.000 1.128 293 W HN 0.130 nan 8.180 nan 0.000 0.642 294 Q N 1.468 120.583 119.800 -1.142 0.000 2.280 294 Q HA -0.067 4.273 4.340 -0.001 0.000 0.202 294 Q C 2.294 177.950 176.000 -0.574 0.000 0.903 294 Q CA 0.466 55.720 55.803 -0.916 0.000 0.948 294 Q CB 0.067 28.144 28.738 -1.103 0.000 1.058 294 Q HN 0.583 nan 8.270 nan 0.000 0.493 295 Q N -0.297 119.167 119.800 -0.560 0.000 2.297 295 Q HA -0.126 4.213 4.340 -0.001 0.000 0.204 295 Q C 0.753 176.318 176.000 -0.725 0.000 0.962 295 Q CA 1.234 56.491 55.803 -0.910 0.000 0.879 295 Q CB -0.122 27.762 28.738 -1.424 0.000 0.947 295 Q HN 0.339 nan 8.270 nan 0.000 0.462 296 N N 2.394 120.904 118.700 -0.315 0.000 2.025 296 N HA -0.116 4.623 4.740 -0.001 0.000 0.194 296 N C -1.044 174.464 175.510 -0.003 0.000 1.044 296 N CA 1.766 54.797 53.050 -0.032 0.000 0.851 296 N CB -0.735 37.769 38.487 0.027 0.000 1.036 296 N HN 0.344 nan 8.380 nan 0.000 0.422 297 P HA -0.108 nan 4.420 nan 0.000 0.219 297 P C 0.491 177.769 177.300 -0.037 0.000 1.150 297 P CA 1.444 64.521 63.100 -0.038 0.000 0.814 297 P CB 0.123 31.778 31.700 -0.075 0.000 0.787 298 E N -1.135 118.990 120.200 -0.125 0.000 2.076 298 E HA -0.075 4.274 4.350 -0.001 0.000 0.190 298 E C 1.945 178.642 176.600 0.162 0.000 0.979 298 E CA 0.766 57.163 56.400 -0.005 0.000 0.807 298 E CB -0.386 29.235 29.700 -0.132 0.000 0.761 298 E HN 0.137 nan 8.360 nan 0.000 0.454 299 F N 1.622 121.394 119.950 -0.297 0.000 2.171 299 F HA -0.131 4.395 4.527 -0.001 0.000 0.300 299 F C 2.419 177.954 175.800 -0.442 0.000 1.090 299 F CA 1.165 58.821 58.000 -0.573 0.000 1.293 299 F CB -0.884 37.379 39.000 -1.229 0.000 1.013 299 F HN 0.037 nan 8.300 nan 0.000 0.486 300 E N 0.776 120.944 120.200 -0.053 0.000 2.031 300 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 300 E C 2.259 178.918 176.600 0.097 0.000 0.994 300 E CA 2.130 58.618 56.400 0.147 0.000 0.800 300 E CB -0.305 29.524 29.700 0.215 0.000 0.752 300 E HN 0.238 nan 8.360 nan 0.000 0.447 301 S N -0.727 115.039 115.700 0.110 0.000 2.481 301 S HA -0.091 4.378 4.470 -0.001 0.000 0.231 301 S C 1.886 176.520 174.600 0.056 0.000 0.996 301 S CA 0.472 58.734 58.200 0.103 0.000 0.942 301 S CB -0.553 62.731 63.200 0.141 0.000 0.768 301 S HN 0.376 nan 8.310 nan 0.000 0.520 302 F N 3.007 122.883 119.950 -0.123 0.000 2.216 302 F HA -0.044 4.483 4.527 -0.001 0.000 0.300 302 F C 1.284 176.872 175.800 -0.354 0.000 1.085 302 F CA 1.377 59.081 58.000 -0.493 0.000 1.326 302 F CB -0.309 38.346 39.000 -0.576 0.000 1.027 302 F HN 0.180 nan 8.300 nan 0.000 0.497 303 N N -1.186 117.371 118.700 -0.239 0.000 2.805 303 N HA -0.183 4.557 4.740 -0.001 0.000 0.216 303 N C 0.654 176.055 175.510 -0.181 0.000 0.930 303 N CA 1.334 54.256 53.050 -0.214 0.000 1.376 303 N CB -1.710 36.617 38.487 -0.267 0.000 0.939 303 N HN 0.504 nan 8.380 nan 0.000 0.583 304 G N 0.671 109.305 108.800 -0.277 0.000 2.535 304 G HA2 0.610 4.569 3.960 -0.001 0.000 0.303 304 G HA3 0.610 4.569 3.960 -0.001 0.000 0.303 304 G C -2.671 172.327 174.900 0.165 0.000 1.237 304 G CA -0.752 44.321 45.100 -0.044 0.000 0.986 304 G HN -0.004 nan 8.290 nan 0.000 0.494 305 P HA 0.200 nan 4.420 nan 0.000 0.267 305 P C -0.701 176.558 177.300 -0.069 0.000 1.200 305 P CA 0.185 63.337 63.100 0.087 0.000 0.772 305 P CB 0.616 32.329 31.700 0.021 0.000 0.855 306 I N 2.528 123.004 120.570 -0.156 0.000 2.465 306 I HA 0.354 4.524 4.170 -0.001 0.000 0.291 306 I C -0.501 175.457 176.117 -0.264 0.000 1.014 306 I CA -0.586 60.435 61.300 -0.464 0.000 1.093 306 I CB 1.597 39.046 38.000 -0.919 0.000 1.267 306 I HN 0.111 nan 8.210 nan 0.000 0.431 307 L N 7.231 128.265 121.223 -0.314 0.000 2.298 307 L HA 0.527 4.867 4.340 -0.001 0.000 0.284 307 L C -1.322 175.448 176.870 -0.167 0.000 1.013 307 L CA -0.306 54.419 54.840 -0.190 0.000 0.824 307 L CB 0.944 42.829 42.059 -0.290 0.000 1.221 307 L HN 0.407 nan 8.230 nan 0.000 0.418 308 L N 5.469 126.657 121.223 -0.058 0.000 2.262 308 L HA 0.325 4.665 4.340 -0.001 0.000 0.288 308 L C 1.311 178.216 176.870 0.057 0.000 1.035 308 L CA 0.058 54.910 54.840 0.020 0.000 0.820 308 L CB 1.297 43.409 42.059 0.089 0.000 1.204 308 L HN 0.879 nan 8.230 nan 0.000 0.424 309 T N -1.417 113.180 114.554 0.072 0.000 3.054 309 T HA 0.057 4.407 4.350 -0.001 0.000 0.259 309 T C 0.834 175.621 174.700 0.145 0.000 1.092 309 T CA 0.712 62.872 62.100 0.101 0.000 1.121 309 T CB 0.278 69.209 68.868 0.103 0.000 0.912 309 T HN 0.635 nan 8.240 nan 0.000 0.489 310 T N -0.042 114.628 114.554 0.194 0.000 2.645 310 T HA 0.392 4.741 4.350 -0.001 0.000 0.300 310 T C -0.964 173.873 174.700 0.228 0.000 1.210 310 T CA -1.006 61.209 62.100 0.191 0.000 1.034 310 T CB 0.794 69.952 68.868 0.483 0.000 1.537 310 T HN 0.372 nan 8.240 nan 0.000 0.492 311 N N -0.350 118.494 118.700 0.241 0.000 2.381 311 N HA 0.112 4.851 4.740 -0.001 0.000 0.241 311 N C -0.581 175.121 175.510 0.320 0.000 1.279 311 N CA -0.303 52.896 53.050 0.249 0.000 0.896 311 N CB 0.012 38.616 38.487 0.195 0.000 1.118 311 N HN 0.733 nan 8.380 nan 0.000 0.438 312 C N 1.381 120.828 119.300 0.246 0.000 2.273 312 C HA 0.434 4.893 4.460 -0.001 0.000 0.328 312 C C 0.229 175.408 174.990 0.316 0.000 1.275 312 C CA -0.809 58.302 59.018 0.156 0.000 1.704 312 C CB -0.527 27.063 27.740 -0.251 0.000 2.326 312 C HN 0.652 nan 8.230 nan 0.000 0.517 313 L N 6.611 128.061 121.223 0.379 0.000 2.313 313 L HA 0.802 5.141 4.340 -0.001 0.000 0.283 313 L C -0.064 177.075 176.870 0.449 0.000 1.013 313 L CA 0.058 55.141 54.840 0.406 0.000 0.816 313 L CB 1.330 43.630 42.059 0.402 0.000 1.236 313 L HN 0.627 nan 8.230 nan 0.000 0.419 314 V N 3.306 123.371 119.914 0.251 0.000 2.850 314 V HA 0.787 4.907 4.120 -0.001 0.000 0.315 314 V C -2.471 173.507 176.094 -0.194 0.000 1.064 314 V CA -2.268 60.108 62.300 0.127 0.000 0.979 314 V CB 1.037 33.015 31.823 0.259 0.000 1.039 314 V HN 0.770 nan 8.190 nan 0.000 0.452 315 P HA 0.219 nan 4.420 nan 0.000 0.266 315 P C -0.587 176.645 177.300 -0.114 0.000 1.195 315 P CA -0.072 62.868 63.100 -0.267 0.000 0.768 315 P CB 0.221 31.745 31.700 -0.293 0.000 0.838 316 L N 3.513 124.677 121.223 -0.098 0.000 2.456 316 L HA 0.063 4.403 4.340 -0.001 0.000 0.272 316 L C 1.162 177.985 176.870 -0.078 0.000 1.189 316 L CA 0.647 55.401 54.840 -0.144 0.000 0.846 316 L CB -0.170 41.719 42.059 -0.283 0.000 1.111 316 L HN 0.226 nan 8.230 nan 0.000 0.475 317 K N 2.876 123.238 120.400 -0.063 0.000 2.219 317 K HA 0.092 4.412 4.320 -0.001 0.000 0.258 317 K C 0.976 177.542 176.600 -0.056 0.000 1.008 317 K CA -0.397 55.868 56.287 -0.036 0.000 0.928 317 K CB 0.475 32.969 32.500 -0.010 0.000 0.983 317 K HN 0.345 nan 8.250 nan 0.000 0.484 318 K N 1.588 121.968 120.400 -0.034 0.000 2.209 318 K HA -0.142 4.177 4.320 -0.001 0.000 0.204 318 K C 1.440 178.017 176.600 -0.038 0.000 1.048 318 K CA 1.151 57.417 56.287 -0.035 0.000 0.940 318 K CB 0.180 32.668 32.500 -0.020 0.000 0.729 318 K HN 0.629 nan 8.250 nan 0.000 0.451 319 E N 0.753 120.937 120.200 -0.028 0.000 2.481 319 E HA -0.049 4.301 4.350 -0.001 0.000 0.195 319 E C -0.141 176.444 176.600 -0.024 0.000 1.047 319 E CA 0.099 56.488 56.400 -0.019 0.000 0.867 319 E CB -0.280 29.418 29.700 -0.003 0.000 0.858 319 E HN 0.042 nan 8.360 nan 0.000 0.513 320 N N 1.909 120.573 118.700 -0.059 0.000 2.518 320 N HA 0.019 4.758 4.740 -0.001 0.000 0.266 320 N C 0.584 176.008 175.510 -0.143 0.000 1.196 320 N CA 0.788 53.782 53.050 -0.094 0.000 0.947 320 N CB 1.411 39.742 38.487 -0.260 0.000 1.098 320 N HN 0.234 nan 8.380 nan 0.000 0.450 321 T N -2.380 112.137 114.554 -0.061 0.000 3.132 321 T HA 0.065 4.415 4.350 -0.001 0.000 0.274 321 T C 0.863 175.560 174.700 -0.006 0.000 1.011 321 T CA -0.218 61.859 62.100 -0.039 0.000 0.899 321 T CB -0.589 68.289 68.868 0.018 0.000 1.089 321 T HN 0.567 nan 8.240 nan 0.000 0.543 322 Y N -0.130 120.172 120.300 0.003 0.000 2.461 322 Y HA 0.542 5.091 4.550 -0.001 0.000 0.277 322 Y C 1.629 177.509 175.900 -0.034 0.000 1.182 322 Y CA -1.203 56.894 58.100 -0.005 0.000 1.276 322 Y CB -0.474 37.997 38.460 0.018 0.000 1.087 322 Y HN 0.152 nan 8.280 nan 0.000 0.519 323 L N 2.406 123.531 121.223 -0.164 0.000 2.079 323 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 323 L C 2.160 179.001 176.870 -0.050 0.000 1.081 323 L CA 2.358 57.136 54.840 -0.103 0.000 0.752 323 L CB -0.822 41.183 42.059 -0.091 0.000 0.896 323 L HN 0.587 nan 8.230 nan 0.000 0.433 324 D N -0.165 120.215 120.400 -0.033 0.000 2.371 324 D HA -0.223 4.416 4.640 -0.001 0.000 0.221 324 D C 1.399 177.667 176.300 -0.053 0.000 0.986 324 D CA 1.020 54.994 54.000 -0.043 0.000 0.899 324 D CB -0.160 40.630 40.800 -0.015 0.000 0.902 324 D HN 0.653 nan 8.370 nan 0.000 0.530 325 R N -0.335 120.164 120.500 -0.001 0.000 2.629 325 R HA 0.327 4.667 4.340 -0.001 0.000 0.408 325 R C -0.199 176.147 176.300 0.076 0.000 1.057 325 R CA -0.697 55.448 56.100 0.075 0.000 1.119 325 R CB -0.240 30.142 30.300 0.137 0.000 1.403 325 R HN -0.014 nan 8.270 nan 0.000 0.576 326 L N 1.462 122.647 121.223 -0.064 0.000 2.264 326 L HA 0.444 4.783 4.340 -0.001 0.000 0.289 326 L C -1.428 175.323 176.870 -0.199 0.000 1.044 326 L CA -0.734 54.080 54.840 -0.042 0.000 0.807 326 L CB 0.523 42.586 42.059 0.007 0.000 1.192 326 L HN 0.078 nan 8.230 nan 0.000 0.425 327 Y N 2.596 122.870 120.300 -0.044 0.000 2.364 327 Y HA 0.618 5.168 4.550 -0.001 0.000 0.340 327 Y C 0.605 176.502 175.900 -0.006 0.000 0.975 327 Y CA -0.662 57.432 58.100 -0.009 0.000 1.089 327 Y CB 2.068 40.514 38.460 -0.022 0.000 1.192 327 Y HN 0.686 nan 8.280 nan 0.000 0.454 328 T N -1.063 113.592 114.554 0.169 0.000 2.945 328 T HA 0.788 5.137 4.350 -0.001 0.000 0.286 328 T C -0.372 174.306 174.700 -0.036 0.000 1.025 328 T CA -0.646 61.547 62.100 0.155 0.000 1.039 328 T CB 2.133 71.186 68.868 0.307 0.000 1.068 328 T HN 0.628 nan 8.240 nan 0.000 0.497 329 T N -0.843 113.681 114.554 -0.049 0.000 2.762 329 T HA 0.641 4.991 4.350 -0.001 0.000 0.301 329 T C 0.620 175.320 174.700 0.001 0.000 1.299 329 T CA 0.921 62.881 62.100 -0.233 0.000 1.005 329 T CB 0.836 69.661 68.868 -0.072 0.000 1.377 329 T HN 1.877 nan 8.240 nan 0.000 0.504 330 G N 0.647 109.454 108.800 0.012 0.000 2.583 330 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.292 330 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.292 330 G C 1.174 176.079 174.900 0.009 0.000 1.203 330 G CA 1.309 46.419 45.100 0.017 0.000 0.987 330 G HN 1.883 nan 8.290 nan 0.000 0.554 331 V N -0.767 119.028 119.914 -0.198 0.000 3.573 331 V HA 0.467 4.586 4.120 -0.001 0.000 0.270 331 V C 1.415 177.392 176.094 -0.195 0.000 1.221 331 V CA 1.096 63.228 62.300 -0.280 0.000 1.163 331 V CB -0.412 31.078 31.823 -0.554 0.000 0.847 331 V HN 0.999 nan 8.190 nan 0.000 0.468 332 V N 1.812 121.691 119.914 -0.059 0.000 2.686 332 V HA 0.742 4.861 4.120 -0.001 0.000 0.295 332 V C 0.850 177.025 176.094 0.136 0.000 1.055 332 V CA 0.735 63.069 62.300 0.056 0.000 1.050 332 V CB 0.548 32.444 31.823 0.122 0.000 0.984 332 V HN 0.612 nan 8.190 nan 0.000 0.482 333 G N 2.614 111.510 108.800 0.159 0.000 2.718 333 G HA2 0.605 4.565 3.960 -0.001 0.000 0.295 333 G HA3 0.605 4.565 3.960 -0.001 0.000 0.295 333 G C -2.224 172.902 174.900 0.376 0.000 1.421 333 G CA -0.440 44.759 45.100 0.165 0.000 0.902 333 G HN 0.582 nan 8.290 nan 0.000 0.501 334 Y N 1.332 121.734 120.300 0.170 0.000 2.390 334 Y HA 0.353 4.903 4.550 -0.001 0.000 0.324 334 Y C -0.427 175.530 175.900 0.095 0.000 1.151 334 Y CA -1.008 57.202 58.100 0.184 0.000 1.053 334 Y CB 1.729 40.277 38.460 0.147 0.000 1.277 334 Y HN 0.691 nan 8.280 nan 0.000 0.432 335 E N 3.911 123.985 120.200 -0.211 0.000 2.493 335 E HA 0.337 4.686 4.350 -0.001 0.000 0.255 335 E C 1.024 177.606 176.600 -0.031 0.000 0.999 335 E CA 0.825 57.150 56.400 -0.125 0.000 0.934 335 E CB 0.493 30.085 29.700 -0.179 0.000 0.940 335 E HN 1.131 nan 8.360 nan 0.000 0.473 336 G N 1.696 110.516 108.800 0.033 0.000 2.199 336 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.254 336 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.254 336 G C 0.445 175.388 174.900 0.072 0.000 0.982 336 G CA 0.263 45.392 45.100 0.049 0.000 0.632 336 G HN 1.048 nan 8.290 nan 0.000 0.529 337 A N -0.129 122.774 122.820 0.139 0.000 2.272 337 A HA 0.731 5.051 4.320 -0.001 0.000 0.275 337 A C 0.421 178.000 177.584 -0.007 0.000 1.096 337 A CA 0.062 52.136 52.037 0.063 0.000 0.822 337 A CB 0.520 19.611 19.000 0.151 0.000 1.088 337 A HN 0.353 nan 8.150 nan 0.000 0.495 338 K N 0.556 120.867 120.400 -0.149 0.000 2.211 338 K HA 0.337 4.657 4.320 -0.001 0.000 0.275 338 K C -1.068 175.576 176.600 0.074 0.000 1.024 338 K CA -0.199 56.025 56.287 -0.104 0.000 0.887 338 K CB 1.029 33.328 32.500 -0.334 0.000 1.084 338 K HN 0.782 nan 8.250 nan 0.000 0.463 339 H N 2.784 121.884 119.070 0.050 0.000 2.467 339 H HA 0.259 4.815 4.556 -0.001 0.000 0.326 339 H C -0.615 174.775 175.328 0.104 0.000 1.094 339 H CA -0.663 55.436 56.048 0.085 0.000 1.253 339 H CB 0.639 30.430 29.762 0.048 0.000 1.439 339 H HN 0.345 nan 8.280 nan 0.000 0.479 340 I N 4.587 124.962 120.570 -0.325 0.000 2.304 340 I HA 0.256 4.425 4.170 -0.001 0.000 0.291 340 I C 0.756 176.696 176.117 -0.295 0.000 1.018 340 I CA -0.448 60.735 61.300 -0.194 0.000 1.260 340 I CB 0.184 38.130 38.000 -0.090 0.000 1.390 340 I HN 0.718 nan 8.210 nan 0.000 0.475 341 A N 6.100 128.871 122.820 -0.080 0.000 2.448 341 A HA 0.101 4.421 4.320 -0.001 0.000 0.239 341 A C 0.204 177.764 177.584 -0.041 0.000 1.080 341 A CA -0.320 51.727 52.037 0.016 0.000 0.779 341 A CB 0.030 19.048 19.000 0.031 0.000 1.026 341 A HN 0.669 nan 8.150 nan 0.000 0.499 342 D N 0.854 121.266 120.400 0.020 0.000 2.478 342 D HA 0.161 4.801 4.640 -0.001 0.000 0.234 342 D C 0.844 177.129 176.300 -0.024 0.000 1.154 342 D CA 0.527 54.531 54.000 0.006 0.000 0.874 342 D CB 0.420 41.242 40.800 0.035 0.000 1.198 342 D HN 0.579 nan 8.370 nan 0.000 0.455 343 R N 1.835 122.317 120.500 -0.029 0.000 2.643 343 R HA 0.355 4.694 4.340 -0.001 0.000 0.270 343 R C -2.243 174.052 176.300 -0.009 0.000 1.061 343 R CA -1.163 54.916 56.100 -0.035 0.000 1.107 343 R CB -0.392 29.892 30.300 -0.026 0.000 0.999 343 R HN 0.189 nan 8.270 nan 0.000 0.460 344 P HA 0.092 nan 4.420 nan 0.000 0.274 344 P C -0.680 176.624 177.300 0.006 0.000 1.246 344 P CA -0.536 62.564 63.100 -0.001 0.000 0.795 344 P CB 0.608 32.305 31.700 -0.006 0.000 1.006 345 A N 0.755 123.581 122.820 0.010 0.000 2.548 345 A HA 0.396 4.715 4.320 -0.001 0.000 0.247 345 A C 1.462 179.052 177.584 0.010 0.000 1.067 345 A CA 0.687 52.731 52.037 0.013 0.000 0.757 345 A CB -1.593 17.414 19.000 0.011 0.000 0.996 345 A HN 0.951 nan 8.150 nan 0.000 0.504 346 G N 1.481 110.289 108.800 0.014 0.000 2.162 346 G HA2 0.027 3.986 3.960 -0.001 0.000 0.260 346 G HA3 0.027 3.986 3.960 -0.001 0.000 0.260 346 G C 0.846 175.754 174.900 0.014 0.000 0.976 346 G CA 0.841 45.949 45.100 0.013 0.000 0.655 346 G HN 1.937 nan 8.290 nan 0.000 0.533 347 G N -1.147 107.660 108.800 0.010 0.000 3.217 347 G HA2 0.993 4.952 3.960 -0.001 0.000 0.213 347 G HA3 0.993 4.952 3.960 -0.001 0.000 0.213 347 G C -0.386 174.514 174.900 0.001 0.000 1.294 347 G CA 0.316 45.418 45.100 0.002 0.000 0.987 347 G HN 1.639 nan 8.290 nan 0.000 0.584 348 A N -0.852 121.953 122.820 -0.025 0.000 2.539 348 A HA 0.734 5.054 4.320 -0.001 0.000 0.296 348 A C -0.354 177.150 177.584 -0.133 0.000 1.073 348 A CA -0.662 51.346 52.037 -0.047 0.000 0.700 348 A CB 1.349 20.334 19.000 -0.025 0.000 1.296 348 A HN 0.525 nan 8.150 nan 0.000 0.405 349 K N 0.469 120.732 120.400 -0.229 0.000 2.276 349 K HA 0.219 4.539 4.320 -0.001 0.000 0.259 349 K C -0.947 175.303 176.600 -0.584 0.000 1.001 349 K CA -0.001 56.008 56.287 -0.464 0.000 0.927 349 K CB 0.448 32.511 32.500 -0.729 0.000 0.969 349 K HN 0.642 nan 8.250 nan 0.000 0.490 350 D N 1.538 121.600 120.400 -0.563 0.000 2.427 350 D HA 0.151 4.790 4.640 -0.001 0.000 0.226 350 D C -0.732 175.310 176.300 -0.431 0.000 1.076 350 D CA -0.458 53.313 54.000 -0.382 0.000 0.849 350 D CB 0.277 40.962 40.800 -0.192 0.000 1.052 350 D HN 0.257 nan 8.370 nan 0.000 0.515 351 F N 1.454 121.348 119.950 -0.094 0.000 2.641 351 F HA 0.068 4.595 4.527 -0.001 0.000 0.302 351 F C 2.418 178.133 175.800 -0.143 0.000 1.098 351 F CA -0.153 57.758 58.000 -0.149 0.000 1.318 351 F CB -0.256 38.641 39.000 -0.172 0.000 1.035 351 F HN 0.339 nan 8.300 nan 0.000 0.551 352 S N 0.162 115.875 115.700 0.023 0.000 2.400 352 S HA -0.218 4.252 4.470 -0.001 0.000 0.232 352 S C 2.333 176.931 174.600 -0.003 0.000 1.025 352 S CA 1.005 59.209 58.200 0.006 0.000 0.993 352 S CB -0.627 62.571 63.200 -0.004 0.000 0.808 352 S HN 0.263 nan 8.310 nan 0.000 0.478 353 A N 1.535 124.357 122.820 0.004 0.000 1.969 353 A HA 0.168 4.487 4.320 -0.001 0.000 0.218 353 A C 2.158 179.724 177.584 -0.030 0.000 1.169 353 A CA 1.298 53.356 52.037 0.035 0.000 0.635 353 A CB -0.706 18.375 19.000 0.135 0.000 0.810 353 A HN 0.483 nan 8.150 nan 0.000 0.445 354 L N -0.358 120.728 121.223 -0.229 0.000 2.056 354 L HA -0.097 4.243 4.340 -0.001 0.000 0.207 354 L C 2.335 179.113 176.870 -0.153 0.000 1.078 354 L CA 1.357 55.965 54.840 -0.386 0.000 0.749 354 L CB -0.518 41.197 42.059 -0.573 0.000 0.901 354 L HN 0.362 nan 8.230 nan 0.000 0.433 355 I N -0.697 119.816 120.570 -0.095 0.000 2.202 355 I HA -0.289 3.881 4.170 -0.001 0.000 0.242 355 I C 2.646 178.746 176.117 -0.027 0.000 1.091 355 I CA 1.160 62.428 61.300 -0.053 0.000 1.368 355 I CB -0.536 37.443 38.000 -0.035 0.000 1.058 355 I HN 0.224 nan 8.210 nan 0.000 0.410 356 A N 0.067 122.879 122.820 -0.013 0.000 1.902 356 A HA -0.294 4.026 4.320 -0.001 0.000 0.217 356 A C 2.320 179.913 177.584 0.014 0.000 1.181 356 A CA 1.936 53.976 52.037 0.004 0.000 0.623 356 A CB -0.733 18.276 19.000 0.016 0.000 0.818 356 A HN 0.507 nan 8.150 nan 0.000 0.443 357 Q N -0.707 119.111 119.800 0.030 0.000 2.079 357 Q HA -0.079 4.261 4.340 -0.001 0.000 0.200 357 Q C 2.173 178.187 176.000 0.024 0.000 0.974 357 Q CA 1.390 57.223 55.803 0.050 0.000 0.840 357 Q CB -0.342 28.469 28.738 0.122 0.000 0.898 357 Q HN 0.606 nan 8.270 nan 0.000 0.430 358 A N 1.123 123.944 122.820 0.003 0.000 1.940 358 A HA -0.217 4.103 4.320 -0.001 0.000 0.219 358 A C 1.883 179.456 177.584 -0.018 0.000 1.176 358 A CA 1.678 53.708 52.037 -0.011 0.000 0.631 358 A CB -0.386 18.604 19.000 -0.017 0.000 0.814 358 A HN 0.342 nan 8.150 nan 0.000 0.446 359 K N -0.232 120.161 120.400 -0.012 0.000 2.280 359 K HA -0.106 4.213 4.320 -0.001 0.000 0.202 359 K C 1.407 177.999 176.600 -0.013 0.000 1.047 359 K CA 1.397 57.676 56.287 -0.013 0.000 0.942 359 K CB -0.090 32.405 32.500 -0.009 0.000 0.739 359 K HN 0.467 nan 8.250 nan 0.000 0.457 360 K N -0.178 120.217 120.400 -0.008 0.000 2.404 360 K HA 0.093 4.413 4.320 -0.001 0.000 0.194 360 K C 0.198 176.788 176.600 -0.017 0.000 1.023 360 K CA -0.064 56.219 56.287 -0.007 0.000 1.094 360 K CB 0.331 32.833 32.500 0.004 0.000 0.841 360 K HN 0.051 nan 8.250 nan 0.000 0.523 361 C N 2.305 121.587 119.300 -0.030 0.000 2.364 361 C HA 0.403 4.862 4.460 -0.001 0.000 0.356 361 C C -2.026 172.917 174.990 -0.079 0.000 1.201 361 C CA -1.825 57.161 59.018 -0.053 0.000 2.227 361 C CB 0.978 28.677 27.740 -0.069 0.000 2.387 361 C HN 0.249 nan 8.230 nan 0.000 0.546 362 P HA 0.286 nan 4.420 nan 0.000 0.274 362 P C -2.548 174.647 177.300 -0.174 0.000 1.246 362 P CA -1.052 61.985 63.100 -0.106 0.000 0.795 362 P CB -0.448 31.197 31.700 -0.092 0.000 1.006 363 P HA 0.263 nan 4.420 nan 0.000 0.274 363 P C -2.577 174.519 177.300 -0.341 0.000 1.256 363 P CA -1.698 61.263 63.100 -0.232 0.000 0.795 363 P CB -1.173 30.456 31.700 -0.120 0.000 1.038 364 P HA 0.043 nan 4.420 nan 0.000 0.269 364 P C -0.421 176.748 177.300 -0.219 0.000 1.209 364 P CA 0.065 62.804 63.100 -0.602 0.000 0.776 364 P CB 0.171 31.280 31.700 -0.986 0.000 0.876 365 V N 2.808 122.662 119.914 -0.100 0.000 2.508 365 V HA 0.017 4.137 4.120 -0.001 0.000 0.281 365 V C 0.954 177.131 176.094 0.139 0.000 1.041 365 V CA -0.100 62.215 62.300 0.024 0.000 1.016 365 V CB -0.006 31.841 31.823 0.041 0.000 0.984 365 V HN 0.582 nan 8.190 nan 0.000 0.478 366 E N 4.676 124.934 120.200 0.095 0.000 2.366 366 E HA 0.095 4.444 4.350 -0.001 0.000 0.266 366 E C 0.725 177.359 176.600 0.057 0.000 1.015 366 E CA -0.163 56.304 56.400 0.111 0.000 0.906 366 E CB 0.599 30.341 29.700 0.071 0.000 0.979 366 E HN 0.753 nan 8.360 nan 0.000 0.443 367 I N 1.145 121.715 120.570 0.001 0.000 4.187 367 I HA 0.291 4.461 4.170 -0.001 0.000 0.326 367 I C 0.235 176.305 176.117 -0.079 0.000 1.302 367 I CA -0.357 60.897 61.300 -0.076 0.000 1.196 367 I CB 0.142 38.039 38.000 -0.173 0.000 1.095 367 I HN 0.430 nan 8.210 nan 0.000 0.411 368 E N 1.524 121.690 120.200 -0.057 0.000 2.439 368 E HA 0.508 4.858 4.350 -0.001 0.000 0.279 368 E C -1.106 175.499 176.600 0.009 0.000 1.077 368 E CA -0.775 55.608 56.400 -0.028 0.000 0.849 368 E CB 1.687 31.359 29.700 -0.046 0.000 1.408 368 E HN 0.117 nan 8.360 nan 0.000 0.457 369 T N -2.370 112.194 114.554 0.016 0.000 2.887 369 T HA 0.843 5.193 4.350 -0.001 0.000 0.292 369 T C 0.605 175.322 174.700 0.029 0.000 1.087 369 T CA -0.038 62.081 62.100 0.032 0.000 1.009 369 T CB 1.601 70.487 68.868 0.031 0.000 1.203 369 T HN 1.429 nan 8.240 nan 0.000 0.518 370 G N 0.636 109.457 108.800 0.034 0.000 2.341 370 G HA2 0.400 4.360 3.960 -0.001 0.000 0.196 370 G HA3 0.400 4.360 3.960 -0.001 0.000 0.196 370 G C -0.393 174.530 174.900 0.037 0.000 1.231 370 G CA 0.250 45.368 45.100 0.031 0.000 1.155 370 G HN 2.271 nan 8.290 nan 0.000 0.529 371 S N -1.398 114.323 115.700 0.036 0.000 2.596 371 S HA 0.803 5.273 4.470 -0.001 0.000 0.270 371 S C -1.105 173.523 174.600 0.046 0.000 1.155 371 S CA -0.548 57.677 58.200 0.041 0.000 0.827 371 S CB 1.975 65.195 63.200 0.034 0.000 1.130 371 S HN 1.282 nan 8.310 nan 0.000 0.467 372 I N 1.391 121.996 120.570 0.058 0.000 2.545 372 I HA 0.529 4.698 4.170 -0.001 0.000 0.292 372 I C -1.031 175.139 176.117 0.088 0.000 1.040 372 I CA -1.114 60.226 61.300 0.067 0.000 1.068 372 I CB 2.212 40.254 38.000 0.069 0.000 1.251 372 I HN 0.500 nan 8.210 nan 0.000 0.424 373 V N 4.809 124.770 119.914 0.079 0.000 2.427 373 V HA 0.878 4.998 4.120 -0.001 0.000 0.286 373 V C 0.456 176.583 176.094 0.055 0.000 1.034 373 V CA -0.097 62.246 62.300 0.071 0.000 0.893 373 V CB 1.260 33.135 31.823 0.088 0.000 0.982 373 V HN 0.997 nan 8.190 nan 0.000 0.452 374 G N 1.864 110.570 108.800 -0.156 0.000 2.706 374 G HA2 0.629 4.589 3.960 -0.001 0.000 0.307 374 G HA3 0.629 4.589 3.960 -0.001 0.000 0.307 374 G C 0.203 174.397 174.900 -1.177 0.000 1.307 374 G CA 0.128 44.907 45.100 -0.535 0.000 0.790 374 G HN 1.517 nan 8.290 nan 0.000 0.503 375 G N -1.743 106.206 108.800 -1.417 0.000 2.141 375 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.164 375 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.164 375 G C 0.034 174.547 174.900 -0.645 0.000 1.009 375 G CA 0.132 44.638 45.100 -0.990 0.000 0.677 375 G HN 0.815 nan 8.290 nan 0.000 0.508 376 F N 2.114 121.902 119.950 -0.269 0.000 2.752 376 F HA 0.663 5.189 4.527 -0.001 0.000 0.332 376 F C 1.339 177.085 175.800 -0.089 0.000 1.188 376 F CA 0.037 57.948 58.000 -0.148 0.000 1.296 376 F CB 0.128 39.061 39.000 -0.111 0.000 1.526 376 F HN 0.397 nan 8.300 nan 0.000 0.576 377 A N -0.070 122.738 122.820 -0.020 0.000 2.275 377 A HA 0.239 4.558 4.320 -0.001 0.000 0.282 377 A C 1.447 179.026 177.584 -0.008 0.000 1.275 377 A CA 0.081 52.121 52.037 0.006 0.000 0.842 377 A CB 0.031 18.998 19.000 -0.055 0.000 1.280 377 A HN 0.721 nan 8.150 nan 0.000 0.508 378 H N -2.086 117.012 119.070 0.047 0.000 2.389 378 H HA -0.149 4.407 4.556 -0.001 0.000 0.299 378 H C 1.683 177.029 175.328 0.030 0.000 1.081 378 H CA 2.220 58.283 56.048 0.025 0.000 1.345 378 H CB -0.590 29.181 29.762 0.016 0.000 1.393 378 H HN 0.864 nan 8.280 nan 0.000 0.520 379 H N 0.214 119.050 119.070 -0.389 0.000 2.321 379 H HA -0.153 4.403 4.556 -0.001 0.000 0.300 379 H C 2.418 177.686 175.328 -0.100 0.000 1.087 379 H CA 2.172 58.114 56.048 -0.177 0.000 1.319 379 H CB -0.088 29.531 29.762 -0.239 0.000 1.379 379 H HN 0.425 nan 8.280 nan 0.000 0.501 380 Q N 0.194 119.875 119.800 -0.198 0.000 2.050 380 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 380 Q C 2.365 178.299 176.000 -0.109 0.000 0.980 380 Q CA 2.115 57.794 55.803 -0.207 0.000 0.840 380 Q CB -0.596 28.009 28.738 -0.221 0.000 0.898 380 Q HN 0.420 nan 8.270 nan 0.000 0.424 381 V N 0.132 120.038 119.914 -0.014 0.000 2.453 381 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 381 V C 2.098 178.175 176.094 -0.028 0.000 1.048 381 V CA 1.171 63.495 62.300 0.040 0.000 1.049 381 V CB -0.483 31.374 31.823 0.057 0.000 0.672 381 V HN 0.281 nan 8.190 nan 0.000 0.457 382 L N 0.542 121.733 121.223 -0.054 0.000 2.191 382 L HA -0.060 4.280 4.340 -0.001 0.000 0.212 382 L C 2.557 179.362 176.870 -0.108 0.000 1.103 382 L CA 1.941 56.741 54.840 -0.066 0.000 0.769 382 L CB -1.108 40.936 42.059 -0.025 0.000 0.908 382 L HN 0.288 nan 8.230 nan 0.000 0.438 383 A N -0.791 121.918 122.820 -0.186 0.000 1.933 383 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 383 A C 2.017 179.545 177.584 -0.094 0.000 1.175 383 A CA 1.392 53.318 52.037 -0.185 0.000 0.628 383 A CB -0.668 18.166 19.000 -0.277 0.000 0.814 383 A HN 0.399 nan 8.150 nan 0.000 0.444 384 L N -0.610 120.578 121.223 -0.059 0.000 2.627 384 L HA 0.144 4.484 4.340 -0.001 0.000 0.232 384 L C 2.460 179.321 176.870 -0.015 0.000 1.150 384 L CA 0.211 55.042 54.840 -0.015 0.000 0.917 384 L CB -0.266 41.814 42.059 0.034 0.000 1.104 384 L HN 0.395 nan 8.230 nan 0.000 0.445 385 A N 0.346 123.142 122.820 -0.040 0.000 1.908 385 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 385 A C 1.881 179.435 177.584 -0.050 0.000 1.181 385 A CA 1.940 53.944 52.037 -0.054 0.000 0.627 385 A CB -0.287 18.664 19.000 -0.082 0.000 0.818 385 A HN 0.334 nan 8.150 nan 0.000 0.445 386 D N -0.533 119.840 120.400 -0.044 0.000 2.123 386 D HA -0.162 4.477 4.640 -0.001 0.000 0.196 386 D C 1.891 178.186 176.300 -0.009 0.000 0.992 386 D CA 1.657 55.636 54.000 -0.035 0.000 0.833 386 D CB -0.239 40.544 40.800 -0.028 0.000 0.954 386 D HN 0.602 nan 8.370 nan 0.000 0.455 387 K N 0.483 120.884 120.400 0.003 0.000 2.057 387 K HA -0.085 4.234 4.320 -0.001 0.000 0.206 387 K C 1.960 178.585 176.600 0.043 0.000 1.050 387 K CA 0.703 57.001 56.287 0.019 0.000 0.935 387 K CB 0.044 32.555 32.500 0.019 0.000 0.715 387 K HN -0.063 nan 8.250 nan 0.000 0.439 388 V N 0.589 120.538 119.914 0.058 0.000 2.358 388 V HA -0.209 3.911 4.120 -0.001 0.000 0.246 388 V C 2.265 178.456 176.094 0.161 0.000 1.047 388 V CA 1.421 63.797 62.300 0.127 0.000 1.035 388 V CB -0.069 31.840 31.823 0.142 0.000 0.658 388 V HN 0.154 nan 8.190 nan 0.000 0.452 389 V N -0.460 119.504 119.914 0.084 0.000 2.343 389 V HA -0.196 3.924 4.120 -0.001 0.000 0.247 389 V C 2.616 178.800 176.094 0.151 0.000 1.051 389 V CA 1.768 64.124 62.300 0.092 0.000 1.036 389 V CB -0.546 31.185 31.823 -0.153 0.000 0.654 389 V HN 0.517 nan 8.190 nan 0.000 0.451 390 E N 0.133 120.381 120.200 0.079 0.000 2.106 390 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 390 E C 2.339 178.981 176.600 0.069 0.000 0.984 390 E CA 1.381 57.821 56.400 0.067 0.000 0.806 390 E CB -0.312 29.408 29.700 0.034 0.000 0.750 390 E HN 0.560 nan 8.360 nan 0.000 0.458 391 A N 0.573 123.434 122.820 0.068 0.000 1.930 391 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 391 A C 2.548 180.154 177.584 0.036 0.000 1.175 391 A CA 1.250 53.310 52.037 0.038 0.000 0.627 391 A CB -0.461 18.553 19.000 0.024 0.000 0.815 391 A HN 0.137 nan 8.150 nan 0.000 0.443 392 V N -0.010 119.969 119.914 0.108 0.000 2.323 392 V HA -0.223 3.896 4.120 -0.001 0.000 0.244 392 V C 2.374 178.499 176.094 0.051 0.000 1.041 392 V CA 2.269 64.620 62.300 0.085 0.000 1.025 392 V CB -0.607 31.355 31.823 0.233 0.000 0.656 392 V HN 0.535 nan 8.190 nan 0.000 0.451 393 K N 0.873 121.346 120.400 0.122 0.000 2.211 393 K HA -0.112 4.208 4.320 -0.001 0.000 0.203 393 K C 2.211 178.831 176.600 0.033 0.000 1.050 393 K CA 1.574 57.911 56.287 0.084 0.000 0.945 393 K CB -0.254 32.326 32.500 0.133 0.000 0.732 393 K HN 0.607 nan 8.250 nan 0.000 0.451 394 S N -0.795 114.921 115.700 0.026 0.000 2.528 394 S HA 0.083 4.553 4.470 -0.001 0.000 0.219 394 S C 1.501 176.093 174.600 -0.014 0.000 0.985 394 S CA 0.519 58.722 58.200 0.005 0.000 0.914 394 S CB 0.273 63.477 63.200 0.006 0.000 0.776 394 S HN 0.426 nan 8.310 nan 0.000 0.526 395 G N 0.618 109.403 108.800 -0.025 0.000 2.176 395 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.253 395 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.253 395 G C 1.049 175.913 174.900 -0.061 0.000 0.979 395 G CA 0.262 45.333 45.100 -0.048 0.000 0.641 395 G HN 1.212 nan 8.290 nan 0.000 0.530 396 A N -0.480 122.309 122.820 -0.052 0.000 1.933 396 A HA 0.400 4.720 4.320 -0.001 0.000 0.218 396 A C 1.239 178.761 177.584 -0.104 0.000 1.175 396 A CA 1.474 53.473 52.037 -0.063 0.000 0.628 396 A CB -0.074 18.899 19.000 -0.044 0.000 0.814 396 A HN 0.886 nan 8.150 nan 0.000 0.444 397 I N -0.677 119.815 120.570 -0.130 0.000 2.354 397 I HA 0.185 4.354 4.170 -0.001 0.000 0.286 397 I C 0.978 176.954 176.117 -0.234 0.000 1.007 397 I CA -0.312 60.844 61.300 -0.239 0.000 1.167 397 I CB 1.795 39.584 38.000 -0.351 0.000 1.320 397 I HN 0.207 nan 8.210 nan 0.000 0.458 398 K N 5.591 125.855 120.400 -0.226 0.000 2.186 398 K HA 0.164 4.483 4.320 -0.001 0.000 0.202 398 K C 0.660 177.135 176.600 -0.209 0.000 1.052 398 K CA 0.758 56.938 56.287 -0.179 0.000 0.965 398 K CB 0.544 32.962 32.500 -0.137 0.000 0.746 398 K HN 0.570 nan 8.250 nan 0.000 0.457 399 R N -0.631 119.685 120.500 -0.307 0.000 2.634 399 R HA 0.220 4.559 4.340 -0.001 0.000 0.263 399 R C -1.798 174.255 176.300 -0.411 0.000 1.060 399 R CA -0.596 55.349 56.100 -0.259 0.000 0.898 399 R CB 0.741 30.957 30.300 -0.141 0.000 1.253 399 R HN -0.112 nan 8.270 nan 0.000 0.461 400 F N 2.365 122.253 119.950 -0.103 0.000 2.422 400 F HA 0.537 5.064 4.527 -0.001 0.000 0.333 400 F C -0.122 175.582 175.800 -0.161 0.000 1.095 400 F CA -0.768 57.158 58.000 -0.124 0.000 1.038 400 F CB 2.139 41.068 39.000 -0.119 0.000 1.156 400 F HN 0.021 nan 8.300 nan 0.000 0.483 401 V N 3.897 123.817 119.914 0.010 0.000 2.407 401 V HA 0.291 4.411 4.120 -0.001 0.000 0.291 401 V C -0.444 175.609 176.094 -0.068 0.000 1.018 401 V CA -0.910 61.351 62.300 -0.066 0.000 0.842 401 V CB 1.466 33.246 31.823 -0.072 0.000 0.996 401 V HN 0.498 nan 8.190 nan 0.000 0.426 402 V N 7.014 126.846 119.914 -0.136 0.000 2.427 402 V HA 0.257 4.376 4.120 -0.001 0.000 0.268 402 V C 0.680 176.814 176.094 0.065 0.000 1.046 402 V CA 0.291 62.559 62.300 -0.052 0.000 0.970 402 V CB 0.915 32.670 31.823 -0.113 0.000 1.001 402 V HN 0.900 nan 8.190 nan 0.000 0.476 403 M N 4.212 123.869 119.600 0.095 0.000 2.778 403 M HA 0.378 4.858 4.480 -0.001 0.000 0.359 403 M C 0.673 177.122 176.300 0.247 0.000 1.216 403 M CA -0.190 55.211 55.300 0.168 0.000 0.935 403 M CB 0.795 33.426 32.600 0.052 0.000 1.330 403 M HN 0.669 nan 8.290 nan 0.000 0.516 404 A N 0.623 123.572 122.820 0.215 0.000 2.366 404 A HA 0.760 5.080 4.320 -0.001 0.000 0.250 404 A C 0.898 178.604 177.584 0.203 0.000 1.099 404 A CA 0.851 53.017 52.037 0.215 0.000 0.794 404 A CB -0.034 19.087 19.000 0.202 0.000 1.056 404 A HN 0.668 nan 8.150 nan 0.000 0.499 405 G N -1.880 107.047 108.800 0.212 0.000 2.255 405 G HA2 0.212 4.171 3.960 -0.001 0.000 0.216 405 G HA3 0.212 4.171 3.960 -0.001 0.000 0.216 405 G C -0.564 174.483 174.900 0.244 0.000 1.307 405 G CA -0.241 44.999 45.100 0.233 0.000 1.162 405 G HN 1.463 nan 8.290 nan 0.000 0.494 406 C N 0.432 119.888 119.300 0.260 0.000 2.411 406 C HA 0.760 5.220 4.460 -0.001 0.000 0.330 406 C C 0.313 175.450 174.990 0.245 0.000 1.224 406 C CA -0.380 58.826 59.018 0.314 0.000 1.770 406 C CB 1.187 29.167 27.740 0.401 0.000 2.297 406 C HN 0.799 nan 8.230 nan 0.000 0.507 407 D N -0.179 120.406 120.400 0.308 0.000 2.423 407 D HA 0.701 5.341 4.640 -0.001 0.000 0.255 407 D C 0.329 176.744 176.300 0.192 0.000 1.174 407 D CA 0.591 54.715 54.000 0.207 0.000 1.008 407 D CB 1.426 42.363 40.800 0.228 0.000 1.101 407 D HN 0.882 nan 8.370 nan 0.000 0.516 408 G N -0.468 108.227 108.800 -0.175 0.000 2.489 408 G HA2 0.198 4.157 3.960 -0.001 0.000 0.305 408 G HA3 0.198 4.157 3.960 -0.001 0.000 0.305 408 G C 0.103 174.297 174.900 -1.176 0.000 1.311 408 G CA -0.557 44.228 45.100 -0.526 0.000 0.813 408 G HN 0.382 nan 8.290 nan 0.000 0.480 409 R N -0.347 119.559 120.500 -0.989 0.000 2.127 409 R HA 0.098 4.438 4.340 -0.001 0.000 0.217 409 R C 0.860 176.694 176.300 -0.776 0.000 1.074 409 R CA 0.361 55.767 56.100 -1.157 0.000 0.991 409 R CB -0.027 29.945 30.300 -0.547 0.000 0.895 409 R HN 0.491 nan 8.270 nan 0.000 0.450 410 Q N 1.144 120.682 119.800 -0.436 0.000 2.330 410 Q HA -0.017 4.323 4.340 -0.001 0.000 0.279 410 Q C 0.499 176.359 176.000 -0.233 0.000 1.024 410 Q CA 0.323 55.976 55.803 -0.251 0.000 0.900 410 Q CB 0.880 29.540 28.738 -0.129 0.000 1.221 410 Q HN 0.084 nan 8.270 nan 0.000 0.396 411 K N 0.731 121.030 120.400 -0.168 0.000 2.283 411 K HA -0.137 4.182 4.320 -0.001 0.000 0.202 411 K C 2.000 178.570 176.600 -0.049 0.000 1.048 411 K CA 1.223 57.441 56.287 -0.115 0.000 0.948 411 K CB 0.084 32.538 32.500 -0.076 0.000 0.742 411 K HN 0.643 nan 8.250 nan 0.000 0.458 412 S N 0.951 116.629 115.700 -0.037 0.000 2.440 412 S HA -0.165 4.305 4.470 -0.001 0.000 0.238 412 S C 1.666 176.297 174.600 0.051 0.000 1.010 412 S CA 0.837 59.035 58.200 -0.002 0.000 0.972 412 S CB -0.244 62.945 63.200 -0.019 0.000 0.774 412 S HN 0.277 nan 8.310 nan 0.000 0.501 413 R N 1.650 122.194 120.500 0.074 0.000 2.316 413 R HA 0.035 4.375 4.340 -0.001 0.000 0.202 413 R C 2.473 178.918 176.300 0.241 0.000 1.029 413 R CA 0.879 57.125 56.100 0.242 0.000 1.018 413 R CB -0.488 29.918 30.300 0.177 0.000 0.888 413 R HN 0.752 nan 8.270 nan 0.000 0.471 414 S N 0.205 115.979 115.700 0.124 0.000 2.420 414 S HA -0.284 4.186 4.470 -0.001 0.000 0.237 414 S C 1.788 176.449 174.600 0.102 0.000 1.023 414 S CA 1.027 59.293 58.200 0.109 0.000 0.991 414 S CB -0.552 62.685 63.200 0.061 0.000 0.792 414 S HN 0.541 nan 8.310 nan 0.000 0.488 415 Y N 1.854 122.110 120.300 -0.074 0.000 2.102 415 Y HA -0.329 4.220 4.550 -0.001 0.000 0.280 415 Y C 1.980 177.752 175.900 -0.214 0.000 1.178 415 Y CA 2.017 59.993 58.100 -0.207 0.000 1.146 415 Y CB -0.736 37.492 38.460 -0.388 0.000 0.968 415 Y HN 0.268 nan 8.280 nan 0.000 0.504 416 Y N -0.257 120.166 120.300 0.205 0.000 2.200 416 Y HA -0.191 4.359 4.550 -0.001 0.000 0.290 416 Y C 2.706 178.675 175.900 0.114 0.000 1.137 416 Y CA 1.800 59.991 58.100 0.152 0.000 1.163 416 Y CB -1.115 37.547 38.460 0.337 0.000 0.988 416 Y HN 0.072 nan 8.280 nan 0.000 0.518 417 T N -0.203 114.508 114.554 0.261 0.000 2.746 417 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 417 T C 1.637 176.369 174.700 0.053 0.000 1.039 417 T CA 1.761 63.977 62.100 0.194 0.000 1.142 417 T CB -0.235 68.726 68.868 0.155 0.000 0.866 417 T HN 0.419 nan 8.240 nan 0.000 0.444 418 E N 0.288 120.470 120.200 -0.031 0.000 2.106 418 E HA -0.056 4.294 4.350 -0.001 0.000 0.192 418 E C 2.355 178.854 176.600 -0.167 0.000 0.984 418 E CA 0.613 56.959 56.400 -0.090 0.000 0.806 418 E CB -0.146 29.496 29.700 -0.097 0.000 0.750 418 E HN 0.221 nan 8.360 nan 0.000 0.458 419 V N 1.462 121.199 119.914 -0.296 0.000 2.295 419 V HA -0.299 3.820 4.120 -0.001 0.000 0.246 419 V C 2.353 178.334 176.094 -0.188 0.000 1.049 419 V CA 1.948 64.061 62.300 -0.311 0.000 1.024 419 V CB -0.731 30.809 31.823 -0.473 0.000 0.648 419 V HN 0.333 nan 8.190 nan 0.000 0.447 420 A N -0.520 122.208 122.820 -0.154 0.000 1.908 420 A HA -0.272 4.048 4.320 -0.001 0.000 0.218 420 A C 2.161 179.690 177.584 -0.091 0.000 1.181 420 A CA 2.067 54.009 52.037 -0.158 0.000 0.627 420 A CB -0.487 18.428 19.000 -0.141 0.000 0.818 420 A HN 0.648 nan 8.150 nan 0.000 0.445 421 E N -0.494 119.673 120.200 -0.055 0.000 2.152 421 E HA -0.080 4.269 4.350 -0.001 0.000 0.192 421 E C 1.104 177.670 176.600 -0.055 0.000 0.983 421 E CA 0.895 57.272 56.400 -0.037 0.000 0.818 421 E CB -0.049 29.640 29.700 -0.018 0.000 0.758 421 E HN 0.571 nan 8.360 nan 0.000 0.467 422 N N 0.107 118.761 118.700 -0.077 0.000 2.254 422 N HA 0.083 4.823 4.740 -0.001 0.000 0.190 422 N C 0.109 175.570 175.510 -0.081 0.000 1.107 422 N CA 0.021 53.026 53.050 -0.074 0.000 0.869 422 N CB 0.749 39.189 38.487 -0.078 0.000 0.983 422 N HN 0.085 nan 8.380 nan 0.000 0.487 423 L N 2.524 123.690 121.223 -0.096 0.000 2.483 423 L HA 0.114 4.454 4.340 -0.001 0.000 0.276 423 L C -1.822 174.997 176.870 -0.085 0.000 1.213 423 L CA -1.208 53.574 54.840 -0.097 0.000 0.843 423 L CB -0.026 41.964 42.059 -0.116 0.000 1.107 423 L HN -0.148 nan 8.230 nan 0.000 0.487 424 P HA 0.003 nan 4.420 nan 0.000 0.268 424 P C -0.180 177.069 177.300 -0.085 0.000 1.208 424 P CA -0.078 62.976 63.100 -0.076 0.000 0.777 424 P CB 0.429 32.083 31.700 -0.077 0.000 0.875 425 K N 0.900 121.255 120.400 -0.075 0.000 2.504 425 K HA -0.077 4.243 4.320 -0.001 0.000 0.195 425 K C 0.332 176.877 176.600 -0.092 0.000 1.036 425 K CA 1.011 57.252 56.287 -0.076 0.000 0.984 425 K CB -0.239 32.225 32.500 -0.060 0.000 0.788 425 K HN 0.567 nan 8.250 nan 0.000 0.488 426 D N 0.481 120.820 120.400 -0.103 0.000 2.491 426 D HA -0.035 4.605 4.640 -0.001 0.000 0.228 426 D C 0.132 176.326 176.300 -0.178 0.000 1.183 426 D CA -0.203 53.721 54.000 -0.126 0.000 0.827 426 D CB -0.085 40.650 40.800 -0.109 0.000 0.989 426 D HN -0.038 nan 8.370 nan 0.000 0.494 427 T N -2.973 111.474 114.554 -0.178 0.000 2.932 427 T HA 0.690 5.039 4.350 -0.001 0.000 0.289 427 T C -0.331 174.233 174.700 -0.227 0.000 1.039 427 T CA -0.868 61.094 62.100 -0.229 0.000 1.024 427 T CB 2.133 70.895 68.868 -0.177 0.000 1.090 427 T HN -0.123 nan 8.240 nan 0.000 0.496 428 V N 2.199 121.947 119.914 -0.276 0.000 2.588 428 V HA 0.459 4.579 4.120 -0.001 0.000 0.304 428 V C -0.233 175.819 176.094 -0.070 0.000 1.042 428 V CA -0.977 61.220 62.300 -0.172 0.000 0.877 428 V CB 1.610 33.338 31.823 -0.160 0.000 0.996 428 V HN 0.876 nan 8.190 nan 0.000 0.425 429 I N 5.497 126.018 120.570 -0.082 0.000 2.342 429 I HA 0.369 4.539 4.170 -0.001 0.000 0.291 429 I C -0.451 175.654 176.117 -0.020 0.000 1.010 429 I CA -0.199 61.049 61.300 -0.087 0.000 1.308 429 I CB 1.032 38.908 38.000 -0.206 0.000 1.400 429 I HN 0.334 nan 8.210 nan 0.000 0.488 430 L N 5.994 127.226 121.223 0.014 0.000 2.307 430 L HA 0.591 4.930 4.340 -0.001 0.000 0.284 430 L C 0.030 176.947 176.870 0.079 0.000 1.023 430 L CA -0.217 54.643 54.840 0.034 0.000 0.810 430 L CB 1.741 43.805 42.059 0.009 0.000 1.231 430 L HN 0.561 nan 8.230 nan 0.000 0.423 431 T N 1.815 116.444 114.554 0.124 0.000 2.841 431 T HA 0.901 5.250 4.350 -0.001 0.000 0.296 431 T C -1.695 173.107 174.700 0.170 0.000 1.166 431 T CA -0.313 61.901 62.100 0.189 0.000 1.007 431 T CB 2.054 71.108 68.868 0.310 0.000 1.253 431 T HN 0.812 nan 8.240 nan 0.000 0.511 432 A N 0.673 123.602 122.820 0.180 0.000 2.590 432 A HA 0.766 5.085 4.320 -0.001 0.000 0.296 432 A C 0.144 177.843 177.584 0.191 0.000 1.050 432 A CA 0.213 52.358 52.037 0.180 0.000 0.697 432 A CB 0.583 19.690 19.000 0.179 0.000 1.277 432 A HN 2.297 nan 8.150 nan 0.000 0.411 433 G N -1.041 107.879 108.800 0.199 0.000 2.795 433 G HA2 0.123 4.083 3.960 -0.001 0.000 0.664 433 G HA3 0.123 4.083 3.960 -0.001 0.000 0.664 433 G C 0.970 175.992 174.900 0.204 0.000 1.381 433 G CA 0.009 45.249 45.100 0.234 0.000 0.853 433 G HN 2.556 nan 8.290 nan 0.000 0.545 434 C N -0.379 119.086 119.300 0.276 0.000 2.539 434 C HA 0.582 5.042 4.460 -0.001 0.000 0.271 434 C C 3.023 178.182 174.990 0.281 0.000 1.412 434 C CA 0.895 60.125 59.018 0.352 0.000 1.729 434 C CB -1.488 26.513 27.740 0.434 0.000 1.739 434 C HN 2.135 nan 8.230 nan 0.000 0.570 435 A N 3.023 125.953 122.820 0.183 0.000 2.032 435 A HA -0.240 4.080 4.320 -0.001 0.000 0.221 435 A C 2.364 179.871 177.584 -0.130 0.000 1.165 435 A CA 2.168 54.249 52.037 0.074 0.000 0.645 435 A CB -0.696 18.353 19.000 0.081 0.000 0.807 435 A HN 0.895 nan 8.150 nan 0.000 0.453 436 K N -1.639 118.645 120.400 -0.192 0.000 2.218 436 K HA -0.222 4.097 4.320 -0.001 0.000 0.205 436 K C 1.416 177.570 176.600 -0.742 0.000 1.046 436 K CA 1.890 57.829 56.287 -0.580 0.000 0.933 436 K CB -0.620 31.681 32.500 -0.332 0.000 0.728 436 K HN 0.489 nan 8.250 nan 0.000 0.454 437 Y N 1.173 121.282 120.300 -0.319 0.000 2.571 437 Y HA 0.068 4.617 4.550 -0.001 0.000 0.294 437 Y C 2.080 177.854 175.900 -0.210 0.000 1.141 437 Y CA 0.379 58.342 58.100 -0.227 0.000 1.308 437 Y CB 0.098 38.468 38.460 -0.148 0.000 1.002 437 Y HN 0.012 nan 8.280 nan 0.000 0.551 438 R N -0.339 120.066 120.500 -0.158 0.000 2.280 438 R HA -0.092 4.247 4.340 -0.001 0.000 0.207 438 R C 0.164 176.480 176.300 0.027 0.000 1.043 438 R CA 1.055 57.156 56.100 0.002 0.000 1.006 438 R CB -0.315 30.094 30.300 0.182 0.000 0.885 438 R HN 0.649 nan 8.270 nan 0.000 0.467 439 Y N -2.630 117.723 120.300 0.088 0.000 2.858 439 Y HA 0.248 4.798 4.550 -0.001 0.000 0.270 439 Y C 0.618 176.529 175.900 0.019 0.000 1.063 439 Y CA -1.011 57.120 58.100 0.051 0.000 1.263 439 Y CB -0.789 37.700 38.460 0.049 0.000 1.378 439 Y HN -0.127 nan 8.280 nan 0.000 0.578 440 N N 1.418 120.066 118.700 -0.087 0.000 2.398 440 N HA 0.010 4.750 4.740 -0.001 0.000 0.188 440 N C 0.319 175.831 175.510 0.003 0.000 1.122 440 N CA 0.210 53.242 53.050 -0.031 0.000 0.866 440 N CB -0.019 38.360 38.487 -0.180 0.000 0.970 440 N HN 0.479 nan 8.380 nan 0.000 0.462 441 K N 0.219 120.634 120.400 0.024 0.000 2.537 441 K HA 0.319 4.639 4.320 -0.001 0.000 0.206 441 K C -0.029 176.596 176.600 0.042 0.000 1.041 441 K CA -0.239 56.068 56.287 0.033 0.000 1.090 441 K CB 0.747 33.265 32.500 0.031 0.000 0.833 441 K HN 0.095 nan 8.250 nan 0.000 0.493 442 L N 0.398 121.656 121.223 0.059 0.000 2.488 442 L HA 0.225 4.565 4.340 -0.001 0.000 0.249 442 L C 0.411 177.304 176.870 0.038 0.000 1.151 442 L CA -0.713 54.160 54.840 0.054 0.000 0.806 442 L CB 0.289 42.393 42.059 0.075 0.000 1.261 442 L HN 0.011 nan 8.230 nan 0.000 0.484 443 N N 0.240 118.956 118.700 0.026 0.000 2.904 443 N HA 0.281 5.021 4.740 -0.001 0.000 0.257 443 N C 0.000 175.514 175.510 0.006 0.000 1.363 443 N CA -0.068 52.992 53.050 0.015 0.000 0.856 443 N CB 0.295 38.789 38.487 0.011 0.000 1.166 443 N HN 0.520 nan 8.380 nan 0.000 0.499 444 L N 0.415 121.640 121.223 0.003 0.000 2.529 444 L HA 0.383 4.723 4.340 -0.001 0.000 0.223 444 L C 1.380 178.235 176.870 -0.024 0.000 1.113 444 L CA 0.300 55.133 54.840 -0.013 0.000 0.861 444 L CB -0.675 41.373 42.059 -0.018 0.000 1.012 444 L HN 0.599 nan 8.230 nan 0.000 0.461 445 G N 1.515 110.305 108.800 -0.017 0.000 2.562 445 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.250 445 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.250 445 G C -0.762 174.118 174.900 -0.034 0.000 1.269 445 G CA 0.066 45.153 45.100 -0.021 0.000 0.919 445 G HN 0.423 nan 8.290 nan 0.000 0.574 446 D N -1.297 119.081 120.400 -0.037 0.000 2.592 446 D HA 0.601 5.241 4.640 -0.001 0.000 0.263 446 D C -0.794 175.475 176.300 -0.051 0.000 1.132 446 D CA -0.876 53.096 54.000 -0.047 0.000 0.996 446 D CB 1.970 42.751 40.800 -0.031 0.000 1.442 446 D HN 0.685 nan 8.370 nan 0.000 0.486 447 I N 0.321 120.856 120.570 -0.059 0.000 2.420 447 I HA 0.341 4.511 4.170 -0.001 0.000 0.282 447 I C 0.940 177.033 176.117 -0.040 0.000 1.019 447 I CA -0.544 60.722 61.300 -0.057 0.000 1.130 447 I CB 1.469 39.419 38.000 -0.082 0.000 1.262 447 I HN 0.842 nan 8.210 nan 0.000 0.454 448 G N 4.306 113.089 108.800 -0.028 0.000 2.341 448 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.292 448 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.292 448 G C 1.022 175.917 174.900 -0.009 0.000 1.021 448 G CA 0.701 45.791 45.100 -0.017 0.000 0.905 448 G HN 1.393 nan 8.290 nan 0.000 0.508 449 G N -1.475 107.320 108.800 -0.009 0.000 2.241 449 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.244 449 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.244 449 G C 0.504 175.408 174.900 0.006 0.000 0.998 449 G CA 0.280 45.383 45.100 0.004 0.000 0.621 449 G HN 1.331 nan 8.290 nan 0.000 0.519 450 I N 3.554 124.114 120.570 -0.017 0.000 2.363 450 I HA 0.261 4.430 4.170 -0.001 0.000 0.292 450 I C -1.787 174.266 176.117 -0.106 0.000 1.075 450 I CA -1.962 59.304 61.300 -0.056 0.000 1.333 450 I CB 1.006 38.976 38.000 -0.050 0.000 1.415 450 I HN -0.082 nan 8.210 nan 0.000 0.502 451 P HA 0.050 nan 4.420 nan 0.000 0.267 451 P C 0.236 177.433 177.300 -0.172 0.000 1.200 451 P CA -0.072 62.940 63.100 -0.147 0.000 0.772 451 P CB 0.513 32.118 31.700 -0.158 0.000 0.855 452 R N 0.746 121.177 120.500 -0.114 0.000 2.307 452 R HA 0.089 4.429 4.340 -0.001 0.000 0.199 452 R C -0.177 176.059 176.300 -0.106 0.000 1.000 452 R CA 0.501 56.534 56.100 -0.112 0.000 1.023 452 R CB 0.060 30.305 30.300 -0.091 0.000 0.908 452 R HN 0.307 nan 8.270 nan 0.000 0.473 453 V N 2.151 122.007 119.914 -0.097 0.000 2.443 453 V HA 0.302 4.421 4.120 -0.001 0.000 0.293 453 V C -0.475 175.538 176.094 -0.134 0.000 1.021 453 V CA -0.615 61.649 62.300 -0.060 0.000 0.848 453 V CB 1.995 33.848 31.823 0.050 0.000 0.998 453 V HN 0.088 nan 8.190 nan 0.000 0.424 454 L N 4.028 125.154 121.223 -0.162 0.000 2.295 454 L HA 0.522 4.861 4.340 -0.001 0.000 0.281 454 L C -0.532 176.346 176.870 0.012 0.000 1.018 454 L CA -0.395 54.277 54.840 -0.280 0.000 0.841 454 L CB 1.549 43.354 42.059 -0.424 0.000 1.218 454 L HN 0.558 nan 8.230 nan 0.000 0.424 455 D N 2.579 123.057 120.400 0.130 0.000 2.380 455 D HA 0.322 4.961 4.640 -0.001 0.000 0.230 455 D C 0.742 177.146 176.300 0.172 0.000 1.154 455 D CA -0.203 53.891 54.000 0.157 0.000 0.859 455 D CB 2.027 42.922 40.800 0.158 0.000 1.045 455 D HN 0.566 nan 8.370 nan 0.000 0.495 456 A N 2.887 125.810 122.820 0.173 0.000 2.119 456 A HA 0.502 4.821 4.320 -0.001 0.000 0.216 456 A C 1.335 179.042 177.584 0.204 0.000 1.152 456 A CA 1.133 53.267 52.037 0.162 0.000 0.708 456 A CB -0.195 18.891 19.000 0.145 0.000 0.805 456 A HN 0.823 nan 8.150 nan 0.000 0.460 457 G N -1.477 107.479 108.800 0.260 0.000 2.217 457 G HA2 0.036 3.996 3.960 -0.001 0.000 0.126 457 G HA3 0.036 3.996 3.960 -0.001 0.000 0.126 457 G C -0.658 174.370 174.900 0.214 0.000 1.293 457 G CA -0.272 45.003 45.100 0.292 0.000 1.219 457 G HN 0.377 nan 8.290 nan 0.000 0.477 458 Q N -0.282 119.640 119.800 0.204 0.000 2.407 458 Q HA 0.344 4.683 4.340 -0.001 0.000 0.214 458 Q C 2.180 178.319 176.000 0.233 0.000 1.043 458 Q CA 0.032 55.960 55.803 0.207 0.000 0.983 458 Q CB 0.883 29.762 28.738 0.234 0.000 1.211 458 Q HN 1.048 nan 8.270 nan 0.000 0.564 459 C N -0.354 119.132 119.300 0.310 0.000 2.403 459 C HA -0.165 4.295 4.460 -0.001 0.000 0.277 459 C C 1.818 176.936 174.990 0.212 0.000 1.248 459 C CA 0.928 60.132 59.018 0.311 0.000 1.762 459 C CB -1.470 26.516 27.740 0.410 0.000 2.014 459 C HN 0.890 nan 8.230 nan 0.000 0.486 460 N N 1.706 120.447 118.700 0.068 0.000 2.289 460 N HA -0.156 4.584 4.740 -0.001 0.000 0.184 460 N C 0.735 176.212 175.510 -0.055 0.000 1.016 460 N CA 1.661 54.500 53.050 -0.352 0.000 0.872 460 N CB -0.796 37.293 38.487 -0.663 0.000 0.973 460 N HN 0.581 nan 8.380 nan 0.000 0.433 461 D N 0.686 121.142 120.400 0.093 0.000 2.363 461 D HA 0.061 4.701 4.640 -0.001 0.000 0.226 461 D C 0.989 177.391 176.300 0.170 0.000 1.020 461 D CA 0.118 54.217 54.000 0.165 0.000 0.892 461 D CB 0.064 40.976 40.800 0.187 0.000 0.900 461 D HN 0.212 nan 8.370 nan 0.000 0.531 462 S N 0.384 116.178 115.700 0.157 0.000 2.420 462 S HA -0.222 4.248 4.470 -0.001 0.000 0.237 462 S C 1.666 176.347 174.600 0.135 0.000 1.023 462 S CA 0.504 58.795 58.200 0.152 0.000 0.991 462 S CB -0.324 62.977 63.200 0.168 0.000 0.792 462 S HN 0.418 nan 8.310 nan 0.000 0.488 463 Y N 2.616 122.936 120.300 0.034 0.000 2.114 463 Y HA -0.236 4.314 4.550 -0.001 0.000 0.282 463 Y C 2.564 178.489 175.900 0.041 0.000 1.165 463 Y CA 1.534 59.644 58.100 0.017 0.000 1.148 463 Y CB -0.764 37.684 38.460 -0.020 0.000 0.972 463 Y HN 0.178 nan 8.280 nan 0.000 0.504 464 S N 0.317 116.070 115.700 0.087 0.000 2.383 464 S HA -0.194 4.275 4.470 -0.001 0.000 0.229 464 S C 2.054 176.638 174.600 -0.026 0.000 1.030 464 S CA 1.572 59.817 58.200 0.075 0.000 1.002 464 S CB -0.554 62.774 63.200 0.214 0.000 0.829 464 S HN 0.468 nan 8.310 nan 0.000 0.467 465 L N 0.882 122.108 121.223 0.005 0.000 2.083 465 L HA -0.117 4.223 4.340 -0.001 0.000 0.209 465 L C 2.788 179.633 176.870 -0.041 0.000 1.083 465 L CA 1.189 56.028 54.840 -0.001 0.000 0.752 465 L CB -0.774 41.320 42.059 0.058 0.000 0.899 465 L HN 0.317 nan 8.230 nan 0.000 0.433 466 A N -0.100 122.671 122.820 -0.083 0.000 1.902 466 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 466 A C 2.349 179.812 177.584 -0.202 0.000 1.181 466 A CA 1.641 53.608 52.037 -0.116 0.000 0.623 466 A CB -0.794 18.123 19.000 -0.138 0.000 0.818 466 A HN 0.181 nan 8.150 nan 0.000 0.443 467 V N 0.172 119.871 119.914 -0.359 0.000 2.343 467 V HA -0.279 3.841 4.120 -0.001 0.000 0.247 467 V C 2.408 178.404 176.094 -0.163 0.000 1.051 467 V CA 2.075 64.180 62.300 -0.326 0.000 1.036 467 V CB -0.690 30.849 31.823 -0.473 0.000 0.654 467 V HN 0.570 nan 8.190 nan 0.000 0.451 468 I N 0.340 120.837 120.570 -0.121 0.000 2.202 468 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 468 I C 2.666 178.720 176.117 -0.105 0.000 1.091 468 I CA 1.481 62.720 61.300 -0.101 0.000 1.368 468 I CB -0.591 37.343 38.000 -0.110 0.000 1.058 468 I HN 0.273 nan 8.210 nan 0.000 0.410 469 A N 0.834 123.604 122.820 -0.084 0.000 1.908 469 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 469 A C 2.297 179.874 177.584 -0.013 0.000 1.181 469 A CA 1.490 53.508 52.037 -0.033 0.000 0.627 469 A CB -0.888 18.137 19.000 0.041 0.000 0.818 469 A HN 0.388 nan 8.150 nan 0.000 0.445 470 L N -1.004 120.198 121.223 -0.036 0.000 2.093 470 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 470 L C 2.589 179.441 176.870 -0.031 0.000 1.085 470 L CA 1.754 56.578 54.840 -0.028 0.000 0.755 470 L CB -0.329 41.700 42.059 -0.049 0.000 0.904 470 L HN 0.374 nan 8.230 nan 0.000 0.435 471 K N 0.822 121.190 120.400 -0.053 0.000 2.057 471 K HA -0.121 4.199 4.320 -0.001 0.000 0.206 471 K C 1.957 178.515 176.600 -0.069 0.000 1.050 471 K CA 1.466 57.716 56.287 -0.061 0.000 0.935 471 K CB -0.311 32.147 32.500 -0.070 0.000 0.715 471 K HN 0.151 nan 8.250 nan 0.000 0.439 472 L N 0.745 121.935 121.223 -0.056 0.000 2.093 472 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 472 L C 2.609 179.536 176.870 0.096 0.000 1.085 472 L CA 1.397 56.219 54.840 -0.030 0.000 0.755 472 L CB -0.501 41.606 42.059 0.081 0.000 0.904 472 L HN 0.287 nan 8.230 nan 0.000 0.435 473 K N 0.655 121.112 120.400 0.095 0.000 2.044 473 K HA -0.287 4.033 4.320 -0.001 0.000 0.210 473 K C 2.031 178.677 176.600 0.076 0.000 1.049 473 K CA 2.052 58.406 56.287 0.112 0.000 0.927 473 K CB -0.033 32.507 32.500 0.066 0.000 0.713 473 K HN 0.295 nan 8.250 nan 0.000 0.443 474 E N -0.090 120.120 120.200 0.016 0.000 2.047 474 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 474 E C 1.908 178.486 176.600 -0.037 0.000 0.987 474 E CA 1.244 57.640 56.400 -0.007 0.000 0.799 474 E CB 0.149 29.834 29.700 -0.024 0.000 0.752 474 E HN 0.149 nan 8.360 nan 0.000 0.449 475 V N 0.416 120.258 119.914 -0.121 0.000 2.407 475 V HA -0.212 3.907 4.120 -0.001 0.000 0.248 475 V C 1.751 177.707 176.094 -0.229 0.000 1.055 475 V CA 1.490 63.648 62.300 -0.237 0.000 1.049 475 V CB -0.478 31.092 31.823 -0.422 0.000 0.662 475 V HN 0.294 nan 8.190 nan 0.000 0.455 476 F N 0.649 120.603 119.950 0.006 0.000 2.811 476 F HA 0.367 4.893 4.527 -0.001 0.000 0.301 476 F C 1.891 177.696 175.800 0.009 0.000 1.151 476 F CA 0.421 58.427 58.000 0.011 0.000 1.412 476 F CB -0.774 38.237 39.000 0.018 0.000 1.113 476 F HN 0.276 nan 8.300 nan 0.000 0.579 477 G N 1.306 110.191 108.800 0.142 0.000 2.221 477 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.265 477 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.265 477 G C 0.074 175.026 174.900 0.087 0.000 1.041 477 G CA -0.072 45.081 45.100 0.088 0.000 0.807 477 G HN 0.296 nan 8.290 nan 0.000 0.502 478 L N -0.482 120.802 121.223 0.102 0.000 2.357 478 L HA 0.411 4.750 4.340 -0.001 0.000 0.273 478 L C 0.984 177.884 176.870 0.050 0.000 1.080 478 L CA -0.999 53.886 54.840 0.075 0.000 0.803 478 L CB 0.809 42.920 42.059 0.087 0.000 1.174 478 L HN -0.058 nan 8.230 nan 0.000 0.443 479 D N -0.248 120.173 120.400 0.035 0.000 2.249 479 D HA -0.035 4.604 4.640 -0.001 0.000 0.205 479 D C 0.127 176.439 176.300 0.020 0.000 0.962 479 D CA 1.205 55.218 54.000 0.023 0.000 0.860 479 D CB 0.333 41.142 40.800 0.015 0.000 0.955 479 D HN 0.413 nan 8.370 nan 0.000 0.505 480 D N -0.057 120.358 120.400 0.026 0.000 2.696 480 D HA 0.111 4.751 4.640 -0.001 0.000 0.251 480 D C 0.949 177.273 176.300 0.038 0.000 1.188 480 D CA -0.570 53.444 54.000 0.024 0.000 0.876 480 D CB 1.868 42.679 40.800 0.019 0.000 1.334 480 D HN -0.115 nan 8.370 nan 0.000 0.540 481 I N 3.670 124.263 120.570 0.038 0.000 2.315 481 I HA -0.269 3.901 4.170 -0.001 0.000 0.251 481 I C 1.261 177.429 176.117 0.084 0.000 1.125 481 I CA 1.011 62.346 61.300 0.058 0.000 1.392 481 I CB 0.184 38.211 38.000 0.044 0.000 1.065 481 I HN 0.337 nan 8.210 nan 0.000 0.424 482 N N 0.747 119.489 118.700 0.070 0.000 2.512 482 N HA -0.122 4.617 4.740 -0.001 0.000 0.183 482 N C 0.696 176.253 175.510 0.077 0.000 1.073 482 N CA 0.836 53.940 53.050 0.090 0.000 0.911 482 N CB -0.181 38.345 38.487 0.065 0.000 0.964 482 N HN 0.462 nan 8.380 nan 0.000 0.447 483 D N 0.585 121.018 120.400 0.054 0.000 2.339 483 D HA 0.112 4.751 4.640 -0.001 0.000 0.217 483 D C 0.736 177.045 176.300 0.016 0.000 1.050 483 D CA -0.025 53.993 54.000 0.030 0.000 0.856 483 D CB 0.549 41.360 40.800 0.019 0.000 0.922 483 D HN 0.202 nan 8.370 nan 0.000 0.518 484 L N 2.046 123.296 121.223 0.046 0.000 2.483 484 L HA 0.072 4.411 4.340 -0.001 0.000 0.275 484 L C -1.544 175.339 176.870 0.022 0.000 1.220 484 L CA -1.045 53.816 54.840 0.034 0.000 0.833 484 L CB 0.133 42.248 42.059 0.093 0.000 1.102 484 L HN -0.164 nan 8.230 nan 0.000 0.490 485 P HA 0.137 nan 4.420 nan 0.000 0.220 485 P C -0.979 176.379 177.300 0.095 0.000 1.806 485 P CA 0.122 63.229 63.100 0.011 0.000 0.976 485 P CB 0.074 31.746 31.700 -0.046 0.000 1.952 486 V N 0.351 120.301 119.914 0.060 0.000 2.638 486 V HA 0.393 4.513 4.120 -0.001 0.000 0.306 486 V C 0.124 176.163 176.094 -0.091 0.000 1.052 486 V CA -0.380 61.909 62.300 -0.019 0.000 0.885 486 V CB 2.305 34.069 31.823 -0.098 0.000 0.999 486 V HN 0.144 nan 8.190 nan 0.000 0.424 487 S N 2.625 118.222 115.700 -0.173 0.000 2.607 487 S HA 0.807 5.277 4.470 -0.001 0.000 0.303 487 S C -1.500 172.930 174.600 -0.282 0.000 1.086 487 S CA -0.496 57.649 58.200 -0.092 0.000 0.995 487 S CB 1.516 64.716 63.200 -0.000 0.000 1.084 487 S HN 0.564 nan 8.310 nan 0.000 0.507 488 Y N 0.776 121.129 120.300 0.088 0.000 2.326 488 Y HA 0.443 4.993 4.550 -0.001 0.000 0.331 488 Y C -0.227 175.754 175.900 0.135 0.000 0.962 488 Y CA -0.733 57.429 58.100 0.102 0.000 1.167 488 Y CB 1.369 39.881 38.460 0.087 0.000 1.148 488 Y HN 0.487 nan 8.280 nan 0.000 0.463 489 D N 4.418 124.982 120.400 0.273 0.000 2.405 489 D HA 0.344 4.983 4.640 -0.001 0.000 0.264 489 D C -1.002 175.526 176.300 0.380 0.000 1.240 489 D CA -0.044 54.156 54.000 0.333 0.000 0.893 489 D CB 0.419 41.410 40.800 0.319 0.000 1.198 489 D HN 0.484 nan 8.370 nan 0.000 0.514 490 I N 1.585 122.357 120.570 0.336 0.000 2.353 490 I HA 0.521 4.691 4.170 -0.001 0.000 0.293 490 I C 0.531 176.800 176.117 0.254 0.000 0.992 490 I CA -0.728 60.733 61.300 0.268 0.000 1.268 490 I CB 1.791 39.938 38.000 0.246 0.000 1.387 490 I HN 0.256 nan 8.210 nan 0.000 0.478 491 A N 7.895 130.759 122.820 0.074 0.000 2.306 491 A HA 0.710 5.030 4.320 -0.001 0.000 0.314 491 A C -1.060 176.681 177.584 0.262 0.000 1.164 491 A CA -0.445 51.593 52.037 -0.000 0.000 0.822 491 A CB 0.786 19.465 19.000 -0.535 0.000 1.130 491 A HN 0.824 nan 8.150 nan 0.000 0.496 492 W N 1.656 123.025 121.300 0.115 0.000 3.031 492 W HA 0.622 5.281 4.660 -0.001 0.000 0.337 492 W C -1.392 175.287 176.519 0.267 0.000 1.187 492 W CA -0.837 56.611 57.345 0.171 0.000 1.166 492 W CB 1.106 30.645 29.460 0.131 0.000 1.437 492 W HN 0.748 nan 8.180 nan 0.000 0.551 493 Y N 1.073 121.355 120.300 -0.030 0.000 3.147 493 Y HA 0.164 4.714 4.550 -0.001 0.000 0.219 493 Y C 0.155 176.011 175.900 -0.073 0.000 1.021 493 Y CA 1.324 59.263 58.100 -0.268 0.000 1.440 493 Y CB 0.226 38.697 38.460 0.018 0.000 1.472 493 Y HN 0.424 nan 8.280 nan 0.000 0.408 494 E N -0.033 120.174 120.200 0.013 0.000 2.450 494 E HA 0.367 4.717 4.350 -0.001 0.000 0.248 494 E C 0.277 176.956 176.600 0.132 0.000 0.930 494 E CA -0.450 55.900 56.400 -0.083 0.000 0.854 494 E CB 0.467 30.081 29.700 -0.143 0.000 1.355 494 E HN 0.074 nan 8.360 nan 0.000 0.402 495 Q N -0.276 119.536 119.800 0.020 0.000 2.331 495 Q HA 0.138 4.478 4.340 -0.001 0.000 0.203 495 Q C 1.380 177.349 176.000 -0.051 0.000 0.944 495 Q CA 1.009 56.807 55.803 -0.008 0.000 0.892 495 Q CB -0.052 28.629 28.738 -0.095 0.000 0.983 495 Q HN 0.446 nan 8.270 nan 0.000 0.482 496 K N 0.311 120.657 120.400 -0.089 0.000 2.097 496 K HA -0.078 4.242 4.320 -0.001 0.000 0.206 496 K C 1.970 178.611 176.600 0.068 0.000 1.049 496 K CA 1.154 57.347 56.287 -0.157 0.000 0.933 496 K CB -0.178 32.182 32.500 -0.234 0.000 0.717 496 K HN 0.215 nan 8.250 nan 0.000 0.442 497 A N 0.854 123.778 122.820 0.174 0.000 1.972 497 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 497 A C 2.289 179.967 177.584 0.157 0.000 1.169 497 A CA 1.304 53.485 52.037 0.240 0.000 0.635 497 A CB -0.498 18.729 19.000 0.377 0.000 0.810 497 A HN 0.073 nan 8.150 nan 0.000 0.446 498 V N -0.176 119.803 119.914 0.108 0.000 2.358 498 V HA -0.224 3.896 4.120 -0.001 0.000 0.246 498 V C 3.033 179.127 176.094 0.001 0.000 1.047 498 V CA 1.777 64.084 62.300 0.011 0.000 1.035 498 V CB -1.300 30.521 31.823 -0.004 0.000 0.658 498 V HN 0.601 nan 8.190 nan 0.000 0.452 499 A N -0.000 122.823 122.820 0.004 0.000 1.908 499 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 499 A C 2.412 180.044 177.584 0.080 0.000 1.181 499 A CA 2.210 54.259 52.037 0.019 0.000 0.627 499 A CB -0.740 18.250 19.000 -0.017 0.000 0.818 499 A HN 0.337 nan 8.150 nan 0.000 0.445 500 V N -0.292 119.705 119.914 0.139 0.000 2.343 500 V HA -0.236 3.884 4.120 -0.001 0.000 0.247 500 V C 2.501 178.639 176.094 0.073 0.000 1.051 500 V CA 1.961 64.352 62.300 0.151 0.000 1.036 500 V CB -0.817 31.128 31.823 0.202 0.000 0.654 500 V HN 0.616 nan 8.190 nan 0.000 0.451 501 L N -0.223 121.022 121.223 0.037 0.000 2.012 501 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 501 L C 2.196 179.016 176.870 -0.083 0.000 1.073 501 L CA 1.934 56.753 54.840 -0.035 0.000 0.748 501 L CB -0.531 41.482 42.059 -0.076 0.000 0.891 501 L HN 0.212 nan 8.230 nan 0.000 0.431 502 L N -0.694 120.490 121.223 -0.064 0.000 2.083 502 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 502 L C 2.696 179.544 176.870 -0.036 0.000 1.083 502 L CA 1.060 55.852 54.840 -0.080 0.000 0.752 502 L CB -1.028 41.001 42.059 -0.048 0.000 0.899 502 L HN 0.406 nan 8.230 nan 0.000 0.433 503 A N 0.419 123.240 122.820 0.003 0.000 1.877 503 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 503 A C 2.260 179.884 177.584 0.065 0.000 1.186 503 A CA 1.463 53.529 52.037 0.048 0.000 0.620 503 A CB -0.700 18.342 19.000 0.070 0.000 0.822 503 A HN 0.352 nan 8.150 nan 0.000 0.443 504 L N -0.593 120.627 121.223 -0.006 0.000 2.046 504 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 504 L C 2.566 179.358 176.870 -0.129 0.000 1.077 504 L CA 1.064 55.862 54.840 -0.070 0.000 0.747 504 L CB -0.586 41.399 42.059 -0.124 0.000 0.896 504 L HN 0.387 nan 8.230 nan 0.000 0.432 505 L N -1.296 119.798 121.223 -0.215 0.000 2.046 505 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 505 L C 2.579 179.332 176.870 -0.195 0.000 1.077 505 L CA 1.270 55.853 54.840 -0.428 0.000 0.747 505 L CB -0.615 40.913 42.059 -0.884 0.000 0.896 505 L HN 0.182 nan 8.230 nan 0.000 0.432 506 F N 0.912 120.756 119.950 -0.177 0.000 2.171 506 F HA -0.179 4.348 4.527 -0.001 0.000 0.300 506 F C 2.026 177.808 175.800 -0.030 0.000 1.090 506 F CA 1.378 59.336 58.000 -0.069 0.000 1.293 506 F CB -0.064 38.899 39.000 -0.062 0.000 1.013 506 F HN -0.103 nan 8.300 nan 0.000 0.486 507 L N -0.056 121.199 121.223 0.053 0.000 2.610 507 L HA 0.172 4.511 4.340 -0.001 0.000 0.232 507 L C 1.651 178.480 176.870 -0.069 0.000 1.149 507 L CA 0.696 55.526 54.840 -0.017 0.000 0.872 507 L CB -0.971 41.117 42.059 0.048 0.000 0.992 507 L HN 0.459 nan 8.230 nan 0.000 0.447 508 G N -0.166 108.595 108.800 -0.064 0.000 2.131 508 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.223 508 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.223 508 G C 0.150 175.047 174.900 -0.005 0.000 0.990 508 G CA -0.121 44.974 45.100 -0.009 0.000 0.671 508 G HN 0.078 nan 8.290 nan 0.000 0.521 509 V N 1.254 121.120 119.914 -0.079 0.000 2.508 509 V HA 0.403 4.522 4.120 -0.001 0.000 0.281 509 V C 0.729 176.769 176.094 -0.090 0.000 1.041 509 V CA 0.326 62.525 62.300 -0.167 0.000 1.016 509 V CB 1.163 32.728 31.823 -0.429 0.000 0.984 509 V HN 0.347 nan 8.190 nan 0.000 0.478 510 K N 2.808 123.192 120.400 -0.027 0.000 2.281 510 K HA 0.681 5.000 4.320 -0.001 0.000 0.242 510 K C 0.860 177.482 176.600 0.037 0.000 0.971 510 K CA -0.207 56.111 56.287 0.051 0.000 0.834 510 K CB 1.887 34.431 32.500 0.073 0.000 1.181 510 K HN 0.873 nan 8.250 nan 0.000 0.435 511 G N 1.290 110.128 108.800 0.063 0.000 2.141 511 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.242 511 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.242 511 G C 0.076 175.037 174.900 0.102 0.000 0.982 511 G CA -0.340 44.808 45.100 0.081 0.000 0.662 511 G HN 0.513 nan 8.290 nan 0.000 0.527 512 I N 0.901 121.509 120.570 0.063 0.000 2.683 512 I HA 0.136 4.306 4.170 -0.001 0.000 0.286 512 I C 1.283 177.468 176.117 0.113 0.000 1.175 512 I CA 0.100 61.457 61.300 0.095 0.000 1.429 512 I CB 0.407 38.409 38.000 0.004 0.000 1.371 512 I HN 0.080 nan 8.210 nan 0.000 0.569 513 R N 5.512 126.111 120.500 0.165 0.000 2.265 513 R HA 0.494 4.834 4.340 -0.001 0.000 0.314 513 R C -0.970 175.439 176.300 0.182 0.000 1.053 513 R CA -0.732 55.461 56.100 0.155 0.000 0.931 513 R CB 1.026 31.434 30.300 0.181 0.000 1.024 513 R HN 0.356 nan 8.270 nan 0.000 0.457 514 L N 2.237 123.546 121.223 0.144 0.000 2.356 514 L HA 0.740 5.079 4.340 -0.001 0.000 0.277 514 L C -0.417 176.601 176.870 0.246 0.000 0.996 514 L CA 0.097 55.043 54.840 0.177 0.000 0.822 514 L CB 1.988 44.066 42.059 0.031 0.000 1.256 514 L HN 0.729 nan 8.230 nan 0.000 0.413 515 G N 3.716 112.764 108.800 0.412 0.000 2.663 515 G HA2 0.464 4.424 3.960 -0.001 0.000 0.299 515 G HA3 0.464 4.424 3.960 -0.001 0.000 0.299 515 G C -2.785 172.369 174.900 0.422 0.000 1.372 515 G CA -0.380 44.952 45.100 0.387 0.000 0.781 515 G HN 0.347 nan 8.290 nan 0.000 0.491 516 P HA 0.123 nan 4.420 nan 0.000 0.241 516 P C 0.636 177.983 177.300 0.080 0.000 1.191 516 P CA 0.914 64.103 63.100 0.148 0.000 0.771 516 P CB 0.342 32.115 31.700 0.122 0.000 0.929 517 T N -2.964 111.686 114.554 0.159 0.000 2.864 517 T HA 0.607 4.957 4.350 -0.001 0.000 0.289 517 T C -0.344 174.547 174.700 0.318 0.000 1.082 517 T CA -0.961 61.236 62.100 0.161 0.000 1.009 517 T CB 1.200 70.135 68.868 0.112 0.000 1.234 517 T HN -0.191 nan 8.240 nan 0.000 0.526 518 L N 1.295 122.624 121.223 0.175 0.000 2.343 518 L HA 0.499 4.839 4.340 -0.001 0.000 0.275 518 L C -2.320 174.565 176.870 0.025 0.000 1.056 518 L CA -2.573 52.309 54.840 0.070 0.000 0.804 518 L CB 1.131 43.165 42.059 -0.041 0.000 1.203 518 L HN 0.466 nan 8.230 nan 0.000 0.440 519 P HA -0.043 nan 4.420 nan 0.000 0.264 519 P C 0.017 177.007 177.300 -0.516 0.000 1.183 519 P CA 0.104 62.852 63.100 -0.586 0.000 0.763 519 P CB 0.790 31.413 31.700 -1.795 0.000 0.807 520 A N 3.446 126.066 122.820 -0.333 0.000 2.067 520 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 520 A C 1.332 178.733 177.584 -0.305 0.000 1.158 520 A CA 1.104 53.046 52.037 -0.158 0.000 0.661 520 A CB -1.324 17.721 19.000 0.075 0.000 0.801 520 A HN 0.669 nan 8.150 nan 0.000 0.452 521 F N -1.433 118.193 119.950 -0.540 0.000 2.773 521 F HA 0.478 5.005 4.527 -0.000 0.000 0.304 521 F C 0.033 175.650 175.800 -0.305 0.000 1.129 521 F CA -0.631 56.884 58.000 -0.808 0.000 1.378 521 F CB -0.580 37.728 39.000 -1.154 0.000 1.095 521 F HN -0.107 nan 8.300 nan 0.000 0.565 522 L N 2.340 123.386 121.223 -0.294 0.000 2.255 522 L HA 0.353 4.692 4.340 -0.001 0.000 0.289 522 L C 0.616 177.457 176.870 -0.048 0.000 1.046 522 L CA -0.904 53.856 54.840 -0.133 0.000 0.816 522 L CB 0.988 42.924 42.059 -0.205 0.000 1.197 522 L HN 0.265 nan 8.230 nan 0.000 0.427 523 S N 2.738 118.448 115.700 0.017 0.000 2.600 523 S HA 0.279 4.749 4.470 -0.001 0.000 0.265 523 S C -1.799 172.810 174.600 0.015 0.000 1.325 523 S CA -1.053 57.169 58.200 0.037 0.000 1.002 523 S CB 0.948 64.182 63.200 0.057 0.000 0.921 523 S HN 0.365 nan 8.310 nan 0.000 0.554 524 P HA -0.127 nan 4.420 nan 0.000 0.216 524 P C 1.052 178.358 177.300 0.010 0.000 1.157 524 P CA 1.320 64.426 63.100 0.011 0.000 0.880 524 P CB -0.079 31.630 31.700 0.015 0.000 0.791 525 N N -1.120 117.589 118.700 0.015 0.000 2.188 525 N HA -0.077 4.663 4.740 -0.001 0.000 0.184 525 N C 1.690 177.211 175.510 0.017 0.000 1.018 525 N CA 0.869 53.928 53.050 0.015 0.000 0.858 525 N CB -0.952 37.545 38.487 0.017 0.000 0.989 525 N HN 0.028 nan 8.380 nan 0.000 0.426 526 V N 1.352 121.279 119.914 0.022 0.000 2.379 526 V HA -0.081 4.039 4.120 -0.001 0.000 0.245 526 V C 2.389 178.495 176.094 0.020 0.000 1.044 526 V CA 1.500 63.817 62.300 0.028 0.000 1.036 526 V CB -0.879 30.966 31.823 0.037 0.000 0.664 526 V HN 0.242 nan 8.190 nan 0.000 0.453 527 A N -0.160 122.661 122.820 0.001 0.000 1.908 527 A HA -0.259 4.060 4.320 -0.001 0.000 0.218 527 A C 2.300 179.888 177.584 0.006 0.000 1.181 527 A CA 2.019 54.051 52.037 -0.009 0.000 0.627 527 A CB -0.439 18.546 19.000 -0.026 0.000 0.818 527 A HN 0.524 nan 8.150 nan 0.000 0.445 528 K N -0.537 119.866 120.400 0.005 0.000 2.057 528 K HA -0.075 4.244 4.320 -0.001 0.000 0.207 528 K C 1.899 178.499 176.600 -0.000 0.000 1.049 528 K CA 1.379 57.667 56.287 0.002 0.000 0.931 528 K CB -0.382 32.118 32.500 -0.001 0.000 0.714 528 K HN 0.322 nan 8.250 nan 0.000 0.440 529 V N 1.997 121.916 119.914 0.008 0.000 2.332 529 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 529 V C 2.215 178.321 176.094 0.020 0.000 1.055 529 V CA 1.655 63.958 62.300 0.005 0.000 1.038 529 V CB -0.398 31.442 31.823 0.028 0.000 0.651 529 V HN 0.287 nan 8.190 nan 0.000 0.450 530 L N -0.769 120.504 121.223 0.084 0.000 2.093 530 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 530 L C 2.433 179.384 176.870 0.136 0.000 1.085 530 L CA 0.863 55.824 54.840 0.202 0.000 0.755 530 L CB -0.583 41.574 42.059 0.162 0.000 0.904 530 L HN 0.194 nan 8.230 nan 0.000 0.435 531 V N -0.116 119.828 119.914 0.050 0.000 2.358 531 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 531 V C 2.350 178.433 176.094 -0.019 0.000 1.047 531 V CA 1.719 64.034 62.300 0.025 0.000 1.035 531 V CB -0.350 31.479 31.823 0.010 0.000 0.658 531 V HN 0.424 nan 8.190 nan 0.000 0.452 532 E N 0.196 120.366 120.200 -0.050 0.000 2.077 532 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 532 E C 2.022 178.513 176.600 -0.182 0.000 0.989 532 E CA 1.635 57.980 56.400 -0.090 0.000 0.800 532 E CB -0.169 29.484 29.700 -0.079 0.000 0.746 532 E HN 0.706 nan 8.360 nan 0.000 0.452 533 N N -1.084 117.424 118.700 -0.321 0.000 2.333 533 N HA -0.022 4.718 4.740 -0.001 0.000 0.178 533 N C 0.588 175.592 175.510 -0.843 0.000 1.018 533 N CA 0.580 53.205 53.050 -0.708 0.000 0.882 533 N CB 0.283 38.052 38.487 -1.197 0.000 0.984 533 N HN 0.072 nan 8.380 nan 0.000 0.434 534 F N -0.525 119.409 119.950 -0.027 0.000 2.856 534 F HA 0.282 4.809 4.527 -0.001 0.000 0.338 534 F C 0.348 176.130 175.800 -0.029 0.000 1.100 534 F CA -0.628 57.352 58.000 -0.034 0.000 1.150 534 F CB -0.114 38.862 39.000 -0.040 0.000 1.101 534 F HN -0.211 nan 8.300 nan 0.000 0.548 535 N N 1.967 120.721 118.700 0.091 0.000 2.727 535 N HA -0.235 4.504 4.740 -0.001 0.000 0.249 535 N C -0.333 175.223 175.510 0.075 0.000 1.048 535 N CA 0.271 53.358 53.050 0.062 0.000 0.714 535 N CB -1.265 37.248 38.487 0.044 0.000 0.959 535 N HN 0.347 nan 8.380 nan 0.000 0.544 536 I N 0.079 120.702 120.570 0.088 0.000 2.692 536 I HA 0.013 4.182 4.170 -0.001 0.000 0.284 536 I C 0.887 177.027 176.117 0.039 0.000 1.159 536 I CA 0.433 61.766 61.300 0.055 0.000 1.423 536 I CB 0.524 38.543 38.000 0.032 0.000 1.380 536 I HN 0.078 nan 8.210 nan 0.000 0.580 537 K N 6.760 127.185 120.400 0.041 0.000 2.426 537 K HA 0.521 4.841 4.320 -0.001 0.000 0.251 537 K C -2.557 174.063 176.600 0.034 0.000 0.941 537 K CA -1.630 54.679 56.287 0.037 0.000 0.808 537 K CB 2.151 34.681 32.500 0.050 0.000 1.265 537 K HN 0.280 nan 8.250 nan 0.000 0.432 538 P HA 0.193 nan 4.420 nan 0.000 0.276 538 P C -0.300 176.992 177.300 -0.013 0.000 1.261 538 P CA -0.570 62.536 63.100 0.009 0.000 0.800 538 P CB 0.426 32.124 31.700 -0.003 0.000 1.066 539 I N -2.429 118.092 120.570 -0.082 0.000 2.720 539 I HA 0.609 4.778 4.170 -0.001 0.000 0.287 539 I C 0.536 176.561 176.117 -0.153 0.000 1.090 539 I CA -0.266 60.910 61.300 -0.207 0.000 1.384 539 I CB 0.529 38.128 38.000 -0.668 0.000 1.420 539 I HN 0.347 nan 8.210 nan 0.000 0.575 540 G N 2.846 111.598 108.800 -0.080 0.000 3.135 540 G HA2 0.546 4.506 3.960 -0.001 0.000 0.159 540 G HA3 0.546 4.506 3.960 -0.001 0.000 0.159 540 G C -0.289 174.642 174.900 0.052 0.000 1.244 540 G CA -0.054 45.040 45.100 -0.010 0.000 0.965 540 G HN 0.866 nan 8.290 nan 0.000 0.599 541 T N -1.875 112.729 114.554 0.083 0.000 2.828 541 T HA 0.279 4.629 4.350 -0.001 0.000 0.290 541 T C 1.482 176.290 174.700 0.180 0.000 1.019 541 T CA -0.050 62.121 62.100 0.119 0.000 1.031 541 T CB 1.378 70.281 68.868 0.058 0.000 1.001 541 T HN 0.197 nan 8.240 nan 0.000 0.531 542 V N 1.521 121.509 119.914 0.123 0.000 2.287 542 V HA -0.203 3.916 4.120 -0.001 0.000 0.248 542 V C 3.036 179.112 176.094 -0.030 0.000 1.053 542 V CA 2.354 64.630 62.300 -0.040 0.000 1.027 542 V CB -1.083 30.663 31.823 -0.128 0.000 0.646 542 V HN 1.040 nan 8.190 nan 0.000 0.447 543 Q N -0.358 119.437 119.800 -0.009 0.000 2.050 543 Q HA -0.262 4.077 4.340 -0.001 0.000 0.202 543 Q C 1.934 177.936 176.000 0.004 0.000 0.980 543 Q CA 2.158 57.954 55.803 -0.011 0.000 0.840 543 Q CB -0.149 28.585 28.738 -0.007 0.000 0.898 543 Q HN 0.624 nan 8.270 nan 0.000 0.424 544 D N 0.501 120.916 120.400 0.024 0.000 2.117 544 D HA -0.123 4.517 4.640 -0.001 0.000 0.198 544 D C 1.393 177.717 176.300 0.039 0.000 0.982 544 D CA 1.189 55.206 54.000 0.029 0.000 0.828 544 D CB -0.212 40.609 40.800 0.035 0.000 0.967 544 D HN 0.315 nan 8.370 nan 0.000 0.464 545 D N 0.006 120.446 120.400 0.067 0.000 2.149 545 D HA -0.018 4.622 4.640 -0.001 0.000 0.201 545 D C 2.251 178.576 176.300 0.041 0.000 0.972 545 D CA 0.237 54.289 54.000 0.087 0.000 0.835 545 D CB -0.121 40.794 40.800 0.191 0.000 0.966 545 D HN 0.238 nan 8.370 nan 0.000 0.476 546 I N 1.000 121.570 120.570 0.001 0.000 2.179 546 I HA -0.261 3.909 4.170 -0.001 0.000 0.242 546 I C 2.402 178.509 176.117 -0.016 0.000 1.088 546 I CA 1.037 62.321 61.300 -0.027 0.000 1.357 546 I CB -0.182 37.784 38.000 -0.056 0.000 1.051 546 I HN -0.064 nan 8.210 nan 0.000 0.409 547 A N 0.671 123.486 122.820 -0.009 0.000 1.908 547 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 547 A C 2.513 180.097 177.584 -0.000 0.000 1.181 547 A CA 1.988 54.021 52.037 -0.008 0.000 0.627 547 A CB -0.836 18.161 19.000 -0.005 0.000 0.818 547 A HN 0.449 nan 8.150 nan 0.000 0.445 548 A N -0.735 122.093 122.820 0.013 0.000 1.898 548 A HA -0.059 4.260 4.320 -0.001 0.000 0.216 548 A C 2.260 179.857 177.584 0.021 0.000 1.181 548 A CA 1.690 53.739 52.037 0.020 0.000 0.620 548 A CB -0.503 18.517 19.000 0.034 0.000 0.819 548 A HN 0.520 nan 8.150 nan 0.000 0.442 549 M N -1.159 118.455 119.600 0.023 0.000 2.175 549 M HA -0.118 4.362 4.480 -0.001 0.000 0.264 549 M C 1.985 178.284 176.300 -0.002 0.000 1.063 549 M CA 1.153 56.465 55.300 0.021 0.000 1.119 549 M CB -0.364 32.248 32.600 0.020 0.000 1.377 549 M HN 0.288 nan 8.290 nan 0.000 0.415 550 M N -0.344 119.247 119.600 -0.016 0.000 2.374 550 M HA -0.026 4.453 4.480 -0.001 0.000 0.264 550 M C 2.052 178.337 176.300 -0.024 0.000 1.067 550 M CA 1.033 56.315 55.300 -0.031 0.000 1.103 550 M CB -1.297 31.280 32.600 -0.039 0.000 1.402 550 M HN 0.253 nan 8.290 nan 0.000 0.444 551 A N -0.631 122.182 122.820 -0.012 0.000 2.251 551 A HA 0.439 4.758 4.320 -0.001 0.000 0.209 551 A C 1.620 179.203 177.584 -0.001 0.000 1.187 551 A CA 0.733 52.766 52.037 -0.008 0.000 0.823 551 A CB -0.764 18.234 19.000 -0.003 0.000 0.846 551 A HN 0.610 nan 8.150 nan 0.000 0.486 552 G N 0.088 108.890 108.800 0.004 0.000 2.160 552 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.251 552 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.251 552 G C 0.116 175.036 174.900 0.033 0.000 1.008 552 G CA 0.907 46.018 45.100 0.018 0.000 0.724 552 G HN 1.052 nan 8.290 nan 0.000 0.514 553 K N 0.000 120.420 120.400 0.033 0.000 2.780 553 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 553 K CA 0.000 56.311 56.287 0.041 0.000 0.838 553 K CB 0.000 32.517 32.500 0.028 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543